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Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB
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13468379
 
#1

PubChem: 25772637
SMDC ChBr Diverse: 27212
ref: mol2, SDF, SMILES, flexibase
3.61,6.99,-2.08,0,2,0, 249.398, 3
mid: mol2, SDF, SMILES, flexibase
3.61,9.25,-35.11,1,2,1, 250.406, 3
215992
 
#2

eMolecules: 25859211
ChemDB: 4221209
Collaborative Drug Discovery: 435394
PubChem: 757388
SMDC ChBr Diverse: 27666...5 total

ref: mol2, SDF, SMILES, flexibase
3.75,-1.53,-5.61,1,2,0, 276.133, 2
13126560
 
#3

eMolecules: 1424330
Scientific Exchange (make on demand): H-033513
AKOS: AKOS000108880
Asinex: BAS03236855
IBScreen: STOCK2S-24142...36 total

ref: mol2, SDF, SMILES, flexibase
3.32,2.27,-10.34,3,4,0, 254.289, 2

Similar to: 13126481,
301667
 
#4

eMolecules: 799342
Molport: MolPort-001-889-978
AKOS: AKOS000671252
IBScreen: STOCK1S-85649
Innovapharm: STT-00287617...23 total

ref: mol2, SDF, SMILES, flexibase
3.09,3.2,-11.51,3,5,0, 253.261, 2
hi: mol2, SDF, SMILES, flexibase
3.09,3.97,-55.26,2,5,-1, 252.253, 2
hi: mol2, SDF, SMILES, flexibase
3.09,4.74,-115.74,1,5,-2, 251.245, 2
hi: mol2, SDF, SMILES, flexibase
3.09,3.97,-52.49,2,5,-1, 252.253, 2

Similar to: 5360849, 26508187, 34978987, 40164182, ... 4 in total.
766492
 
#5

eMolecules: 25865954
Molport: MolPort-006-116-002
Scientific Exchange (make on demand): X-058018
AKOS: AKOS000349125
American Custom Chemicals Corp.: NEW0082373...34 total

ref: mol2, SDF, SMILES, flexibase
2.63,8.14,-21.58,1,6,0, 358.401, 3

Similar to: 34825952,
431968
 
#6

eMolecules: 2017122
Molport: MolPort-002-116-629
IBScreen: STOCK1S-92618
Mcule: MCULE-8780913929
ChemDB: 4183075...8 total

ref: mol2, SDF, SMILES, flexibase
2.38,6.67,-11.4,1,5,0, 256.261, 4
13121815
 
#7

eMolecules: 2093135
Molport: MolPort-002-162-944
AKOS: AKOS001636223
ChemDiv: 4229-0027
Mcule: MCULE-4269139554...15 total

ref: mol2, SDF, SMILES, flexibase
4.86,8.68,-9.42,2,4,0, 291.354, 3

Similar to: 13126420,
20112206
 
#8

eMolecules: 35779913, 1548006
Molport: MolPort-002-026-032
AKOS: AKOS000508892
Asinex: BAS13121848
ChemBridge: 5639063...19 total

ref: mol2, SDF, SMILES, flexibase
3.55,9.3,-12.01,0,3,0, 349.261, 2

Similar to: 526434,
20112019
 
#9

eMolecules: 35779858
IBScreen NP: STOCK1N-22589
Pharmeks: PHAR043342
PubChem: 6557518, 44658665, 762285, 44658666
SMDC ChBr Diverse: 28364...8 total

ref: mol2, SDF, SMILES, flexibase
3.01,8.57,-14.41,0,3,0, 332.806, 2
35337294
 
#10

eMolecules: 1990112
Molport: MolPort-002-160-290
ChemBridge: 5646668
Mcule: MCULE-5001880528
ChemDB: 4185083...11 total

ref: mol2, SDF, SMILES, flexibase
2.52,8.44,-14.65,0,3,0, 316.351, 2
8762149
 
#11

eMolecules: 751977
Molport: MolPort-002-130-517
Aldrich CPR: S873020|ALDRICH
ChemBridge: 5105900
IBScreen NP: STOCK1N-17000...13 total

ref: mol2, SDF, SMILES, flexibase
1.01,-11.99,-13.58,4,6,0, 194.146, 0
4170754
 
#12

eMolecules: 25841667
Molport: MolPort-002-134-127, MolPort-019-736-302
AKOS: AKOS001642877
ChemBridge: 5169019
ChemDiv: 4286-0283...17 total

ref: mol2, SDF, SMILES, flexibase
1.48,3.55,-14.58,0,6,0, 274.324, 5
17886924
 
#13

eMolecules: 2299351
Molport: MolPort-002-111-303, MolPort-019-784-902
IBScreen: STOCK1S-39613
Mcule: MCULE-3330138800
TimTec: ST51001159...14 total

ref: mol2, SDF, SMILES, flexibase
-0.73,3.69,-15.47,0,5,0, 197.238, 3
285052
 
#14

eMolecules: 1258304
Molport: MolPort-001-942-232
AKOS: AKOS000558871
Asinex: BAS00666694
ChemBridge: 5156935...20 total

ref: mol2, SDF, SMILES, flexibase
4.81,5.74,-8.84,1,2,0, 306.184, 1
4955493
 
#15

eMolecules: 25841788
Molport: MolPort-002-134-265
ChemBridge: 5173069
Mcule: MCULE-3398857519
ChemDB: 4168901...9 total

ref: mol2, SDF, SMILES, flexibase
1.88,-2.29,-6.97,2,4,0, 243.06, 2
226209
 
#16

eMolecules: 730947
Molport: MolPort-002-133-798
AKOS: AKOS001094160
Chembo Pharma: KB-280595
ChemBridge: 5156947...25 total

ref: mol2, SDF, SMILES, flexibase
4.68,5.63,-8.92,1,2,0, 261.733, 1

Similar to: 34647190, 38493941, 38777703,
3995806
 
#17

eMolecules: 25800659
Molport: MolPort-001-942-237
AKOS: AKOS000558495
Asinex: BAS00666810
ChemBridge: 5212310...14 total

ref: mol2, SDF, SMILES, flexibase
4.32,-0.14,-14.69,1,3,0, 338.819, 3
13600690
 
#18

eMolecules: 25800665
Molport: MolPort-001-942-240
AKOS: AKOS000558529
Asinex: BAS00666814
Life Chemicals: F0291-0337...12 total

ref: mol2, SDF, SMILES, flexibase
4.93,8.61,-10.88,1,3,0, 373.264, 3

Similar to: 3995816,
275513
 
#19

eMolecules: 2012643
Molport: MolPort-002-111-727
Aldrich CPR: CDS006036|ALDRICH
Ark Pharm Building Blocks: AK-97495
ChemBridge: 5215535...15 total

ref: mol2, SDF, SMILES, flexibase
2.48,2.75,-7.87,1,4,0, 216.24, 2

Similar to: 32255884, 34588878, 34588880, 34588882, ... 4 in total.
13126624
 
#20

eMolecules: 2012645
Molport: MolPort-002-136-681
ChemBridge: 5215546
IBScreen: STOCK1S-63297
Mcule: MCULE-3287013169...13 total

ref: mol2, SDF, SMILES, flexibase
3.68,7.53,-8.92,2,4,0, 291.354, 4
mid: mol2, SDF, SMILES, flexibase
3.68,7.87,-29.1,3,4,1, 292.362, 4
hi: mol2, SDF, SMILES, flexibase
3.68,8.3,-51.14,1,4,-1, 290.346, 4
lo: mol2, SDF, SMILES, flexibase
3.68,8.85,-33.97,2,4,0, 291.354, 4
2473100
 
#21

eMolecules: 2337945
Molport: MolPort-002-136-684
ChemBridge: 5215551
Mcule: MCULE-9755991035
ChemDB: 4271863...10 total

ref: mol2, SDF, SMILES, flexibase
4.31,-1.06,-9.93,1,3,0, 282.73, 2

Similar to: 32102285, 33846234,
13125129
 
#22

eMolecules: 1192196
Molport: MolPort-001-895-745
AKOS: AKOS001086977
IBScreen: STOCK1S-07887
Mcule: MCULE-3888269200...17 total

ref: mol2, SDF, SMILES, flexibase
4.01,8.11,-12.7,1,4,0, 291.354, 2
mid: mol2, SDF, SMILES, flexibase
3.56,10.41,-31.58,3,4,0, 293.37, 1
13126623
 
#23

AKOS: AKOS000669226
ChEMBL12: CHEMBL1442142
ChEMBL19: CHEMBL1442142
ChemDB: 4169537
Collaborative Drug Discovery: 229072...7 total

ref: mol2, SDF, SMILES, flexibase
4.24,6.81,-8.23,1,4,0, 310.328, 4

Similar to: 38625955,
275579
 
#24

eMolecules: 2337973
Molport: MolPort-002-136-701
AKOS: AKOS005624701
IBScreen: STOCK2S-36642
Mcule: MCULE-3715315554...11 total

ref: mol2, SDF, SMILES, flexibase
3.93,1,-10.14,1,5,0, 303.321, 3
13126129
 
#25

eMolecules: 1176869
AKOS: AKOS000669232
Asinex: BAS00232003
ChemBridge: 5215606
ChemDiv: 4229-0028...19 total

ref: mol2, SDF, SMILES, flexibase
5.23,8.58,-8.8,2,4,0, 356.223, 3
13121829
 
#26

eMolecules: 1166099
AKOS: AKOS000565549
Asinex: BAS00129985
ChemDiv: 1222-0209
IBScreen: STOCK5S-40818...20 total

ref: mol2, SDF, SMILES, flexibase
4.97,7.6,-5.96,1,2,0, 306.203, 4
13121850
 
#27

eMolecules: 1166097
Molport: MolPort-001-915-823
AKOS: AKOS001567840
ChemDiv: 1222-0214
AKOS BB (make-on-demand): AKOS001567840...15 total

ref: mol2, SDF, SMILES, flexibase
4.61,7.63,-6.8,1,2,0, 241.334, 4
hi: mol2, SDF, SMILES, flexibase
4.61,8.41,-52.7,0,2,-1, 240.326, 4
lo: mol2, SDF, SMILES, flexibase
4.61,8,-29.79,2,2,1, 242.342, 4
13865275
 
#28

eMolecules: 2052385
Molport: MolPort-002-111-803
ChemBridge: 5220597
IBScreen: STOCK1S-08987
Mcule: MCULE-6688007490...13 total

ref: mol2, SDF, SMILES, flexibase
3.49,6.48,-6.31,1,4,0, 249.358, 4
mid: mol2, SDF, SMILES, flexibase
3.49,6.56,-8.62,1,4,0, 249.358, 4
mid: mol2, SDF, SMILES, flexibase
3.49,6.59,-5.79,1,4,0, 249.358, 4
13142366
 
#29

Scientific Exchange: L16/V-033
BindingDB.org: 49333
ChEMBL12: CHEMBL1362938
ChEMBL19: CHEMBL1362938
ChemDB: 4277629...8 total

ref: mol2, SDF, SMILES, flexibase
2.56,8.12,-13.55,0,5,0, 265.32, 3
13139303
 
#30

eMolecules: 781961
Molport: MolPort-002-549-422
Scientific Exchange: L16/V-152
Aldrich CPR: T302090|ALDRICH
IBScreen: STOCK1S-56570...14 total

ref: mol2, SDF, SMILES, flexibase
3.30,4.98,-8.27,0,5,0, 347.998, 2
3996234
 
#31

eMolecules: 2013065
Scientific Exchange: L16/V-196-217
AKOS: AKOS005623388
ChemBridge: 5256349
IBScreen: STOCK1S-03455...18 total

ref: mol2, SDF, SMILES, flexibase
3.75,6.41,-12.61,1,4,0, 235.246, 1
236402
 
#32

eMolecules: 918845
Molport: MolPort-001-756-964
Scientific Exchange: L16/V-199
AKOS: AKOS000676224
Asinex: BAS00318860...20 total

ref: mol2, SDF, SMILES, flexibase
2.56,0.04,-9.92,1,4,0, 211.224, 0
18037196
 
#33

eMolecules: 1104172, 207081910
Molport: MolPort-019-738-518, MolPort-001-836-596
Scientific Exchange: L16/V-268
AKOS: AKOS000678700
Asinex: BAS00318929...32 total

ref: mol2, SDF, SMILES, flexibase
2.14,3.74,-7.46,1,4,0, 217.272, 0

Similar to: 5211528, 5211529, 5211821, 5211823, ... 4 in total.
235985
 
#34

ChemMol: 44001970, 96700474, 30113956
eMolecules: 525263
Molport: MolPort-001-661-517
Scientific Exchange (make on demand): Z-052281
AKOS: AKOS001309988...113 total

ref: mol2, SDF, SMILES, flexibase
4.02,5.28,-9.5,1,2,0, 227.288, 1
hi: mol2, SDF, SMILES, flexibase
4.02,6.05,-52.84,0,2,-1, 226.28, 1

Similar to: 38601917, 38777703,
235989
 
#35

eMolecules: 1656170
Scientific Exchange (make on demand): H-090800
AKOS: AKOS000108606
IBScreen: STOCK3S-97027
IBScreen BuildingBlocks: BB_SC-00567...28 total

ref: mol2, SDF, SMILES, flexibase
2.86,1.52,-10.83,3,4,0, 240.262, 1
hi: mol2, SDF, SMILES, flexibase
2.40,3,-9.45,4,4,0, 241.27, 0
lo: mol2, SDF, SMILES, flexibase
2.40,-4.28,-55.8,4,4,1, 241.27, 0

Similar to: 25150145, 34422021, 34925737, 36458471, ... 4 in total.
123059
 
#36

eMolecules: 1486924
Molport: MolPort-000-998-608
Scientific Exchange (make on demand): Z-052294
AK Scientific: 2103AF
AKOS: AKOS005707929...52 total

ref: mol2, SDF, SMILES, flexibase
2.43,1.32,-11.4,3,4,0, 226.235, 1
lo: mol2, SDF, SMILES, flexibase
1.98,-4.55,-56.4,4,4,1, 227.243, 0

Similar to: 34422021, 34925737, 39368948, 39647760, 39647761, ... 5 in total.
295700
 
#37

eMolecules: 26244306, 49410666
Molport: MolPort-002-538-676
AKOS: AKOS000605322
American Custom Chemicals Corp.: CCH0009514
IBScreen: STOCK1S-07205...17 total

ref: mol2, SDF, SMILES, flexibase
2.59,2.33,-6.93,0,2,0, 190.242, 4

Similar to: 32154240, 32154244, 34452919, 34519302, ... 4 in total.
295698
 
#38

eMolecules: 49410666
AKOS: AKOS000605322
Mcule: MCULE-7038282942
Vitas-M: STL321646
ChemDB: 4280384...11 total

ref: mol2, SDF, SMILES, flexibase
2.59,8.24,-6.27,0,2,0, 190.242, 4

Similar to: 32154240, 32154244, 34452919, 34519302, ... 4 in total.
166610
 
#39

ChemMol: 44020155
eMolecules: 1014399
Scientific Exchange (make on demand): POD_06/0471
AKOS: AKOS000275527
Anward: ANW-60298...55 total

ref: mol2, SDF, SMILES, flexibase
3.28,4.61,-10.37,2,3,0, 210.236, 1

Similar to: 38602033,
3997980
 
#40

eMolecules: 44857884
Molport: MolPort-003-255-507
Enamine: Z57075840
Mcule: MCULE-4819183654
Princeton BioMolecular Research: OSSK_639353...9 total

ref: mol2, SDF, SMILES, flexibase
2.56,-0.57,-12.97,1,3,0, 268.341, 3

Similar to: 8238951, 8239030, 8239044, 34565696, ... 4 in total.
13590256
 
#41

eMolecules: 25851597, 46012572
Molport: MolPort-019-765-011, MolPort-001-899-739, MolPort-002-113-246
AKOS: AKOS001782978
American Custom Chemicals Corp.: NEW0085214
ChemBridge: 5307855...23 total

ref: mol2, SDF, SMILES, flexibase
3.56,6.02,-12.58,2,6,0, 338.429, 7
ref: mol2, SDF, SMILES, flexibase
3.56,6,-11.35,2,6,0, 338.429, 7
5770913
 
#42

eMolecules: 45904002, 2061282
Molport: MolPort-001-495-112, MolPort-019-765-226, MolPort-002-113-263
AKOS: AKOS001642825
American Custom Chemicals Corp.: HCH0178228
ChemBridge: 5308651...26 total

ref: mol2, SDF, SMILES, flexibase
3.40,4.42,-5.67,2,3,0, 234.686, 0
ref: mol2, SDF, SMILES, flexibase
3.40,4.67,-6.63,2,3,0, 234.686, 0
300026
 
#43

eMolecules: 1162385
Molport: MolPort-001-892-792
Aldrich CPR: CDS005779|ALDRICH
Ark Pharm Building Blocks: AK-97597
ChemBridge: 5339944...16 total

ref: mol2, SDF, SMILES, flexibase
2.86,3.7,-7.69,1,4,0, 230.267, 3

Similar to: 32255884, 34350982, 38462574,
300174
 
#44

eMolecules: 2065463
Molport: MolPort-002-145-497
AKOS: AKOS001012480
Enamine: Z56835456
IBScreen: STOCK2S-13345...13 total

ref: mol2, SDF, SMILES, flexibase
4.04,7.29,-10.98,2,4,0, 279.343, 3
hi: mol2, SDF, SMILES, flexibase
3.76,8.35,-16.58,4,4,0, 281.359, 1
lo: mol2, SDF, SMILES, flexibase
4.04,7.63,-23.96,3,4,1, 280.351, 3
751749
 
#45

eMolecules: 2065465
Molport: MolPort-002-145-498
AKOS: AKOS001582758
ChemBridge: 5341232
Mcule: MCULE-2911873066...15 total

ref: mol2, SDF, SMILES, flexibase
3.61,7.36,-10.73,1,4,0, 265.316, 2
lo: mol2, SDF, SMILES, flexibase
3.15,8.42,-43.68,2,4,1, 266.324, 1

Similar to: 4239323, 39366868, 39366869,
4010514
 
#46

Molport: MolPort-002-145-630
ChemBridge: 5343431
Mcule: MCULE-6004210718
ChemDB: 4175240
Collaborative Drug Discovery: 433437...14 total

ref: mol2, SDF, SMILES, flexibase
1.58,1.91,-20.61,1,6,0, 416.514, 2

Similar to: 4010515, 4010516, 4010517, 4343991, 4343993, ... 17 in total.
4010515
 
#47

Molport: MolPort-002-145-630
ChemBridge: 5343431
Mcule: MCULE-6004210718
ChemDB: 4175240
Collaborative Drug Discovery: 433437...14 total

ref: mol2, SDF, SMILES, flexibase
1.58,1.8,-14.94,1,6,0, 416.514, 2

Similar to: 4010516, 4010517, 4343991, 4343993, 16513115, ... 17 in total.
4010516
 
#48

Molport: MolPort-002-145-630, MolPort-001-845-394
Aldrich CPR: R306665|ALDRICH
ChemBridge: 5343431
Maybridge: JFD02853
Mcule: MCULE-6004210718...19 total

ref: mol2, SDF, SMILES, flexibase
1.58,1.72,-13.85,1,6,0, 416.514, 2

Similar to: 4010517, 4343991, 4343993, 16513115, 16513120, ... 18 in total.
4010517
 
#49

Molport: MolPort-002-145-630, MolPort-001-845-394
Aldrich CPR: R306665|ALDRICH
ChemBridge: 5343431
Maybridge: JFD02853
Mcule: MCULE-6004210718...19 total

ref: mol2, SDF, SMILES, flexibase
1.58,1.74,-17.52,1,6,0, 416.514, 2

Similar to: 4343991, 4343993, 16513115, 16513120, 16513124, ... 18 in total.
2493701
 
#50

eMolecules: 1191630
Molport: MolPort-001-923-458
ChemBridge: 5338871
Mcule: MCULE-9444779735
ChemDB: 4283493...14 total

ref: mol2, SDF, SMILES, flexibase
6.33,11.2,-11.67,2,4,0, 341.414, 3

Similar to: 343287,
1302734
 
#51

eMolecules: 46530716, 1191632
Molport: MolPort-001-923-459
AKOS: AKOS000554451
Asinex: BAS00317256
ChemBridge: 5338872...18 total

ref: mol2, SDF, SMILES, flexibase
5.64,9.65,-15.65,2,4,0, 331.35, 3
hi: mol2, SDF, SMILES, flexibase
5.64,10.44,-58.97,1,4,-1, 330.342, 3
18154134
 
#52

eMolecules: 1191634, 46530138
Molport: MolPort-001-895-678
Enamine: Z57157698
IBScreen: STOCK2S-32754
Pharmeks: PHAR048912...15 total

ref: mol2, SDF, SMILES, flexibase
5.95,10.3,-16.58,2,4,0, 327.387, 3
hi: mol2, SDF, SMILES, flexibase
5.95,11.09,-62.19,1,4,-1, 326.379, 3

Similar to: 34337658,
753191
 
#53

eMolecules: 2065213
Molport: MolPort-002-145-357
AKOS: AKOS005625709
IBScreen: STOCK3S-81420
Mcule: MCULE-8999393108...12 total

ref: mol2, SDF, SMILES, flexibase
5.20,11.39,-10.27,1,5,0, 382.467, 3

Similar to: 4265926, 6509338,
300198
 
#54

eMolecules: 1167996
Molport: MolPort-001-661-879
AKOS: AKOS000669262
Asinex: BAS00139569
ChemBridge: 5341530...18 total

ref: mol2, SDF, SMILES, flexibase
4.22,1.08,-15.36,1,5,0, 342.402, 3
753235
 
#55

eMolecules: 1176871
Molport: MolPort-000-835-295
AKOS: AKOS005624544
ChemBridge: 5341739
IBScreen: STOCK2S-50667...15 total

ref: mol2, SDF, SMILES, flexibase
5.97,0.15,-9.91,1,4,0, 354.409, 4
271638
 
#56

eMolecules: 1253199
Molport: MolPort-001-900-048
AKOS: AKOS000591629
ChemBridge: 5347279
Labotest: LT00114558...20 total

ref: mol2, SDF, SMILES, flexibase
3.46,4.9,-10.57,1,4,0, 238.246, 2

Similar to: 21817140, 22119986, 22119990, 22120002, 22120006, ... 11 in total.
12381791
 
#57

eMolecules: 2066906
Mcule: MCULE-2670076395
ChemDB: 4219988
Collaborative Drug Discovery: 433815
PubChem: 2843079...7 total

ref: mol2, SDF, SMILES, flexibase
1.02,1.76,-10.62,1,5,0, 198.222, 2
mid: mol2, SDF, SMILES, flexibase
1.02,3.63,-44.23,0,5,-1, 197.214, 2
4010581
 
#58

eMolecules: 2065816
Molport: MolPort-002-145-709
Amadis Chemical: A845438
ChemBridge: 5344377
Mcule: MCULE-3334544373...11 total

ref: mol2, SDF, SMILES, flexibase
2.31,4.15,-19.24,0,5,0, 398.499, 2

Similar to: 4010582, 4010583, 4010584, 5535007, 5535010, ... 12 in total.
4010582
 
#59

eMolecules: 2065816
Molport: MolPort-002-145-709
Amadis Chemical: A845438
ChemBridge: 5344377
Mcule: MCULE-3334544373...13 total

ref: mol2, SDF, SMILES, flexibase
2.31,3.83,-14.45,0,5,0, 398.499, 2

Similar to: 4010583, 4010584, 5535007, 5535010, 5535014, ... 13 in total.
4010583
 
#60

eMolecules: 2065816
Molport: MolPort-002-145-709
Amadis Chemical: A845438
ChemBridge: 5344377
Mcule: MCULE-3334544373...13 total

ref: mol2, SDF, SMILES, flexibase
2.31,3.96,-12.73,0,5,0, 398.499, 2

Similar to: 4010584, 5535007, 5535010, 5535014, 16513236, ... 13 in total.
4010584
 
#61

eMolecules: 2065816
Molport: MolPort-002-145-709
Amadis Chemical: A845438
ChemBridge: 5344377
Mcule: MCULE-3334544373...15 total

ref: mol2, SDF, SMILES, flexibase
2.31,3.94,-15.65,0,5,0, 398.499, 2

Similar to: 5535007, 5535010, 5535014, 16513236, 16513241, ... 13 in total.
13113578
 
#62

ChEMBL19: CHEMBL2139513
ChemDB: 4175824
Collaborative Drug Discovery: 433721
PubChem: 767752
SMDC ChBr Diverse: 34261...5 total

ref: mol2, SDF, SMILES, flexibase
1.10,3.23,-9.16,1,5,0, 218.212, 2
mid: mol2, SDF, SMILES, flexibase
1.10,4.13,-49.13,0,5,-1, 217.204, 2

Similar to: 22130483, 3958460,
8579897
 
#63

ChEMBL12: CHEMBL1340684
ChEMBL19: CHEMBL1340684
ChemBridge (Depleted): 5349423
ChemDB: 4284517
Collaborative Drug Discovery: 258278...8 total

ref: mol2, SDF, SMILES, flexibase
1.74,3.28,-10.98,1,5,0, 224.26, 2
hi: mol2, SDF, SMILES, flexibase
1.74,4.23,-47.19,0,5,-1, 223.252, 2
245770
 
#64

eMolecules: 1098144
AKOS: AKOS005623889
Florida Heterocyclic Compounds: 17960
IBScreen: STOCK1S-85831
Labotest: LT00114467...20 total

ref: mol2, SDF, SMILES, flexibase
3.19,-2.93,-11.01,2,5,0, 254.245, 2

Similar to: 21817140, 22119986, 22119990, 22120006, 22120017, ... 8 in total.
4597054
 
#65

eMolecules: 835470
Scientific Exchange: Z-047470
AKOS: AKOS000271372
Enamine: Z57683824
IBScreen: STOCK4S-96767...22 total

ref: mol2, SDF, SMILES, flexibase
3.75,5.79,-8.39,2,4,0, 240.31, 2
lo: mol2, SDF, SMILES, flexibase
3.75,6.24,-29.35,3,4,1, 241.318, 2
lo: mol2, SDF, SMILES, flexibase
3.75,6.23,-24.09,3,4,1, 241.318, 2
17429140
 
#66

eMolecules: 23075026
Chembo Pharma: KB-301152
NCI Plated 2007: 116626
ChemDB: 4220169
Collaborative Drug Discovery: 434043...7 total

ref: mol2, SDF, SMILES, flexibase
4.64,8.55,-11.25,1,4,0, 350.443, 5
hi: mol2, SDF, SMILES, flexibase
4.64,7.61,-44.39,0,4,-1, 349.435, 5
lo: mol2, SDF, SMILES, flexibase
4.64,8.93,-41.66,2,4,1, 351.451, 5

Similar to: 4526636, 4552018,
3998130
 
#67

eMolecules: 25836969
Molport: MolPort-002-147-761
AKOS: AKOS000417593
ChemBridge: 5377596
Florida Heterocyclic Compounds: 13916...22 total

ref: mol2, SDF, SMILES, flexibase
2.90,-1.12,-9.8,2,4,0, 261.284, 2

Similar to: 12367929,
13130784
 
#68

ChemMol: 30107166
eMolecules: 1098870
Molport: MolPort-001-833-807
Scientific Exchange (make on demand): Z-084614
AK Scientific: N014...41 total

ref: mol2, SDF, SMILES, flexibase
1.54,2.76,-13.82,1,4,0, 253.323, 3
hi: mol2, SDF, SMILES, flexibase
0.80,5.02,-38.64,0,4,-1, 252.315, 2
hi: mol2, SDF, SMILES, flexibase
1.54,3.68,-46.37,0,4,-1, 252.315, 3

Similar to: 345309, 1214594, 6380468,
2075274
 
#69

eMolecules: 1299088
Molport: MolPort-019-779-183, MolPort-001-952-836
AKOS: AKOS000531191
Asinex: BAS01026752
IBScreen: STOCK2S-10883...17 total

ref: mol2, SDF, SMILES, flexibase
4.25,5.83,-7.61,2,3,0, 296.414, 3
ref: mol2, SDF, SMILES, flexibase
4.25,5.7,-8.41,2,3,0, 296.414, 3
hi: mol2, SDF, SMILES, flexibase
4.07,6.65,-31.64,3,3,1, 297.422, 4
60178738
 
#70

eMolecules: 44517733
Molport: MolPort-027-688-703
Enamine: Z103867740
Mcule: MCULE-1247081815
PubChem: 26457617...7 total

ref: mol2, SDF, SMILES, flexibase
2.09,4.77,-9.35,2,3,0, 286.297, 4
60178737
 
#71

eMolecules: 44517733
Molport: MolPort-027-688-703
Enamine: Z103867740
Mcule: MCULE-1247081815
PubChem: 26457615...7 total

ref: mol2, SDF, SMILES, flexibase
2.09,4.59,-9.3,2,3,0, 286.297, 4
13130766
 
#72

eMolecules: 1310144
Molport: MolPort-001-955-827
AKOS: AKOS000603285
Asinex: BAS01121831
BioBlocks: A1952/0082051...20 total

ref: mol2, SDF, SMILES, flexibase
4.45,6.69,-8.85,2,3,0, 284.746, 2
mid: mol2, SDF, SMILES, flexibase
4.45,6.8,-9.76,2,3,0, 284.746, 2
hi: mol2, SDF, SMILES, flexibase
4.45,7.44,-47.21,1,3,-1, 283.738, 2
hi: mol2, SDF, SMILES, flexibase
4.48,7.97,-62.24,0,3,-1, 283.738, 2
hi: mol2, SDF, SMILES, flexibase
4.45,7.47,-47.87,1,3,-1, 283.738, 2
74327
 
#73

ChemDB: 4179408
Collaborative Drug Discovery: 940470
PubChem: 6739709
SMDC ChBr Diverse: 35749
SMDC Public: 35749...6 total

ref: mol2, SDF, SMILES, flexibase
4.11,5.29,-9.74,2,4,0, 300.745, 3
hi: mol2, SDF, SMILES, flexibase
4.11,5.9,-41.26,1,4,-1, 299.737, 3
13130578
 
#74

eMolecules: 4397155
Molport: MolPort-001-682-982
Scientific Exchange (make on demand): M-001707
AKOS: AKOS004120993
IBScreen: STOCK1S-58053...20 total

ref: mol2, SDF, SMILES, flexibase
1.04,4.18,-8.82,3,5,0, 202.217, 1

Similar to: 17773, 12468453, 268676,
183793
 
#75

PubChem: 40476016
SMDC ChBr Diverse: 35991
ref: mol2, SDF, SMILES, flexibase
4.91,-2,-10.79,3,4,0, 339.398, 3

Similar to: 13130002, 33846234, 34031203, 34229500, 34340879, ... 5 in total.
183644
 
#76

Scientific Exchange (make on demand): R-051360
AKOS: AKOS000296155
ZereneX Building Blocks: E/7111158
AKOS BB (make-on-demand): AKOS000296155
AsisChem BB (Depleted): ABBL-007504...10 total

ref: mol2, SDF, SMILES, flexibase
2.22,-4.59,-10.11,3,4,0, 226.235, 1

Similar to: 39647760,
183449
 
#77

eMolecules: 2082012
Molport: MolPort-002-511-602
IBScreen NP: STOCK1N-12605
Mcule: MCULE-2036759490
ChemDB: 4182138...9 total

ref: mol2, SDF, SMILES, flexibase
2.40,-3.82,-13.26,3,4,0, 264.284, 2

Similar to: 7038945,
3998285
 
#78

eMolecules: 25804943
Molport: MolPort-001-886-934, MolPort-019-760-197
AKOS: AKOS000522508
Asinex: BAS00791753
ChemBridge: 5674676...14 total

ref: mol2, SDF, SMILES, flexibase
4.26,-1.82,-14.6,2,4,0, 340.382, 4

Similar to: 51105001,
3882963
 
#79

eMolecules: 1076343
Molport: MolPort-001-824-964
AKOS: AKOS005697868
ChemDiv: 0126-0232
IBScreen: STOCK2S-05704...29 total

ref: mol2, SDF, SMILES, flexibase
4.15,-0.64,-10.37,1,2,0, 247.297, 2
40412063
 
#80

Debye Scientific BB (Depleted): DA-02346
PubChem: 40516417, 40516418
SMDC ChBr Diverse: 36533
SureChEMBL: SCHEMBL2631079
Enamine BB Make on Demand: BBV-32462563...7 total

ref: mol2, SDF, SMILES, flexibase
1.41,5.17,-9.63,1,3,0, 228.295, 1
22023176
 
#81

BindingDB.org: 50279177
ChEMBL12: CHEMBL497940
ChEMBL19: CHEMBL497940
PubChem: 23768948, 45928032, 29955471
SMDC ChBr Diverse: 36574...7 total

ref: mol2, SDF, SMILES, flexibase
1.03,6.47,-12.91,0,4,0, 281.359, 2
lo: mol2, SDF, SMILES, flexibase
1.03,6.91,-47.96,1,4,1, 282.367, 2
33295956
 
#82

ChemDB: 4185057
PubChem: 2857362, 11859971, 767388
SMDC ChBr Diverse: 36577
ref: mol2, SDF, SMILES, flexibase
1.78,5.44,-15.41,1,4,0, 296.37, 2

Similar to: 44690243,
19882172
 
#83

AKOS: AKOS000558072
ChEMBL12: CHEMBL1572668
ChEMBL19: CHEMBL1572668
ChemDB: 4185066, 7119641
Collaborative Drug Discovery: 1528427...12 total

ref: mol2, SDF, SMILES, flexibase
2.15,6.96,-17.82,0,5,0, 324.38, 2

Similar to: 19882175, 33711477, 33711479,
12625463
 
#84

eMolecules: 858206
Molport: MolPort-001-849-574
Scientific Exchange (make on demand): POD_73/0951
AKOS: AKOS000283790, AKOS003654374
Aldrich CPR: S977543|ALDRICH...37 total

ref: mol2, SDF, SMILES, flexibase
3.36,7.71,-9.54,0,3,0, 268.341, 2
ref: mol2, SDF, SMILES, flexibase
3.36,9.02,-9.51,0,3,0, 268.341, 2
6658384
 
#85

ChemDB: 7746973
Collaborative Drug Discovery: 982793
SMDC ChBr Diverse: 36874
ref: mol2, SDF, SMILES, flexibase
3.48,6.64,-11.3,2,3,0, 250.301, 3
lo: mol2, SDF, SMILES, flexibase
3.42,6.65,-36.01,3,3,1, 251.309, 3
12437307
 
#86

eMolecules: 26264966, 25837203
Molport: MolPort-002-561-375
IBScreen: STOCK2S-17425
Mcule: MCULE-9504856307
ChemDB: 4626293...9 total

ref: mol2, SDF, SMILES, flexibase
3.70,7.26,-8.1,2,3,0, 264.328, 3
ref: mol2, SDF, SMILES, flexibase
3.70,7.35,-8.86,2,3,0, 264.328, 3
lo: mol2, SDF, SMILES, flexibase
3.64,7.04,-29.69,3,3,1, 265.336, 3
lo: mol2, SDF, SMILES, flexibase
3.64,6.95,-30.11,3,3,1, 265.336, 3
22015099
 
#87

PubChem: 29948202
SMDC ChBr Diverse: 37091
ref: mol2, SDF, SMILES, flexibase
2.61,5.26,-4.63,0,2,0, 248.153, 1
22015094
 
#88

PubChem: 29948195
SMDC ChBr Diverse: 37091
ref: mol2, SDF, SMILES, flexibase
2.61,5.26,-4.68,0,2,0, 248.153, 1
2495545
 
#89

eMolecules: 6176084
Mcule: MCULE-5891538074
ChemDB: 5637022
PubChem: 54687068
SMDC ChBr Diverse: 37022...6 total

ref: mol2, SDF, SMILES, flexibase
1.75,-3.39,-23.86,3,7,0, 366.373, 6
4011885
 
#90

eMolecules: 11033830
Mcule: MCULE-4051912446
ChemDB: 7511027
SMDC ChBr Diverse: 37273
Mcule Make-on-demand: MCULE-4051912446...5 total

ref: mol2, SDF, SMILES, flexibase
4.63,8.15,-7.47,1,3,0, 333.218, 3

Similar to: 4011886,
4011886
 
#91

eMolecules: 11033830
Mcule: MCULE-4051912446
ChemDB: 7511027
SMDC ChBr Diverse: 37273
Mcule Make-on-demand: MCULE-4051912446...5 total

ref: mol2, SDF, SMILES, flexibase
4.63,8.05,-7.79,1,3,0, 333.218, 3

Similar to: 4011885,
2495644
 
#92

eMolecules: 9931423
Mcule: MCULE-8833493117
ChemDB: 6335902
PubChem: 40422292, 112490
SMDC ChBr Diverse: 37237...9 total

ref: mol2, SDF, SMILES, flexibase
1.62,-3.05,-5.77,2,3,0, 204.31, 7

Similar to: 32222184, 32233784, 34538333,
2495645
 
#93

eMolecules: 9931423
Mcule: MCULE-8833493117
ChemDB: 6335902
PubChem: 112490, 40422293
SMDC ChBr Diverse: 37237...9 total

ref: mol2, SDF, SMILES, flexibase
1.62,-3.12,-5.84,2,3,0, 204.31, 7

Similar to: 32222184, 32230195, 32230197, 32233784, 34381698, ... 10 in total.
186475
 
#94

eMolecules: 206904066
Molport: MolPort-019-788-579, MolPort-001-893-557
AKOS: AKOS000674787
ChemBridge: 5133302
IBScreen: STOCK2S-11792...17 total

ref: mol2, SDF, SMILES, flexibase
5.08,7.94,-6.92,2,3,0, 282.387, 1
ref: mol2, SDF, SMILES, flexibase
5.08,7.69,-5.65,2,3,0, 282.387, 1

Similar to: 5093954,
22017406
 
#95

PubChem: 6589655, 45926393
SMDC ChBr Diverse: 37940
ref: mol2, SDF, SMILES, flexibase
2.55,6.42,-12.37,2,5,0, 351.45, 10

Similar to: 34534495,
22017403
 
#96

PubChem: 2058680, 45926393, 2058679
SMDC ChBr Diverse: 37940
ref: mol2, SDF, SMILES, flexibase
2.55,6.13,-11.77,2,5,0, 351.45, 10

Similar to: 34534495,
754243
 
#97

eMolecules: 1344610
Molport: MolPort-001-905-782
Mcule: MCULE-4710809196
ChemDB: 5114166
SMDC ChBr Diverse: 37966...6 total

ref: mol2, SDF, SMILES, flexibase
2.26,-3.51,-16.78,2,6,0, 361.419, 3
754242
 
#98

eMolecules: 1344610
Molport: MolPort-001-905-782
Mcule: MCULE-4710809196
ChemDB: 5114166
SMDC ChBr Diverse: 37966...6 total

ref: mol2, SDF, SMILES, flexibase
2.26,-3.5,-16.07,2,6,0, 361.419, 3
187803
 
#99

eMolecules: 11038436
Mcule: MCULE-7087072128
SMDC ChBr Diverse: 38125
Mcule Make-on-demand: MCULE-7087072128
ref: mol2, SDF, SMILES, flexibase
1.68,-2.74,-17.1,1,5,0, 316.382, 2
lo: mol2, SDF, SMILES, flexibase
1.68,-2.63,-46.81,2,5,1, 317.39, 2

Similar to: 187799,
187799
 
#100

eMolecules: 11038436
Mcule: MCULE-7087072128
SMDC ChBr Diverse: 38125
Mcule Make-on-demand: MCULE-7087072128
ref: mol2, SDF, SMILES, flexibase
1.68,-2.74,-17.06,1,5,0, 316.382, 2
lo: mol2, SDF, SMILES, flexibase
1.68,-2.63,-46.75,2,5,1, 317.39, 2

Similar to: 187803,

Old detail retrieval took 1 seconds.

start 0 size 100

select distinct(s.sub_id),s.smiles from substance s, catalog_item ci, catalog c where s.sub_id = ci.sub_id_fk and ci.cat_id_fk = c.cat_id and c.free=1 and ( c.cat_id = 570 ) limit 0,100

Smiles were