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Supplier information; Representations
Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB
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Structure

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45007913
 
#1

MicroCombiChem BB: MCC1001
ref: mol2, SDF, SMILES, flexibase
2.80,8.79,-5.37,0,2,0, 242.318, 0
32298883
 
#2

MicroCombiChem BB: MCC1002
PubChem: 639818
ref: mol2, SDF, SMILES, flexibase
0.71,1.56,-14.34,0,4,0, 228.269, 2
173020
 
#3

eMolecules: 656259
Molport: MolPort-002-910-368
Aldrich CPR: R627097|ALDRICH, R612685|ALDRICH
Maybridge: NRB00415
Mcule: MCULE-3409535105...13 total

ref: mol2, SDF, SMILES, flexibase
2.63,1.84,-11.07,0,3,0, 271.099, 3

Similar to: 8726674, 8726677, 173019,
173019
 
#4

eMolecules: 656259
Molport: MolPort-002-910-368
Aldrich CPR: R627097|ALDRICH, R612685|ALDRICH
Maybridge: NRB00415
Mcule: MCULE-3409535105...14 total

ref: mol2, SDF, SMILES, flexibase
2.63,1.86,-11.16,0,3,0, 271.099, 3

Similar to: 173020, 8726674, 8726677,
360882
 
#5

ChemMol: 44005946, 30107454
eMolecules: 503747
Scientific Exchange (make on demand): Z-019590
Acorn PharmaTech: ACN-000150
AKOS: AKOS000260233...87 total

ref: mol2, SDF, SMILES, flexibase
0.95,5.09,-7.92,2,4,0, 184.202, 1

Similar to: 32122783, 39263400, 39348250, 44236501, 44249131, ... 5 in total.
403292
 
#6

AKOS: AKOS000268284
Element Store BB: b2star-5181-75-9
Innovapharm: STT-00073869
Innovapharm Building Blocks: BBS-00000217
Labotest: LT03332982...18 total

ref: mol2, SDF, SMILES, flexibase
1.99,1.09,-4.22,2,2,0, 170.252, 1

Similar to: 34571616, 34571618, 34571620, 39038082, ... 4 in total.
3184477
 
#7

Molport: MolPort-002-464-258, MolPort-020-164-720
AKOS: AKOS000359803
Chembo Pharma: KB-235364
Enamine Building Blocks: EN300-05038
MicroCombiChem BB: MCC1019...15 total

ref: mol2, SDF, SMILES, flexibase
3.34,1.87,-6.75,0,3,0, 283.121, 4
26329827
 
#8

Chemstep: 56270
MicroCombiChem BB: MCC1020
BOC Sciences BB (Depleted): 195192-82-6
MicroCombiChem (Depleted): 1020
PubChem: 15304510...5 total

ref: mol2, SDF, SMILES, flexibase
3.81,8.02,-5.77,0,2,0, 220.312, 5
26329832
 
#9

MicroCombiChem BB: MCC1021
MicroCombiChem (Depleted): 1021
PubChem: 33572487
ref: mol2, SDF, SMILES, flexibase
1.29,6.77,-9.95,0,2,0, 226.684, 2

Similar to: 34596959,
26329836
 
#10

Chemstep: 56271
MicroCombiChem BB: MCC1024
MicroCombiChem (Depleted): 1024
PubChem: 15304509
ref: mol2, SDF, SMILES, flexibase
4.36,8.17,-5.87,0,2,0, 220.312, 6

Similar to: 32116300, 36487482,
26329844
 
#11

MicroCombiChem BB: MCC1026
MicroCombiChem (Depleted): 1026
PubChem: 15304511
ref: mol2, SDF, SMILES, flexibase
4.87,8.95,-5.82,0,2,0, 234.339, 7

Similar to: 36487482,
26329848
 
#12

MicroCombiChem BB: MCC1027
MicroCombiChem (Depleted): 1027
PubChem: 15304504
ref: mol2, SDF, SMILES, flexibase
4.01,7.53,-5.82,0,2,0, 220.312, 4

Similar to: 34592239, 36487482, 38784259, 38784261, 38784265, ... 7 in total.
3865160
 
#13

eMolecules: 631576
ACB Blocks: ACT-0025
AK Scientific: 8081AD
AKOS: AKOS000115929
Aldrich CPR: R433527|ALDRICH...57 total

ref: mol2, SDF, SMILES, flexibase
2.57,-0.54,-6.13,2,2,0, 192.287, 0
12505254
 
#14

ChemMol: 83602147, 44012938
eMolecules: 206844404, 4355612
Molport: MolPort-000-004-045
Scientific Exchange (make on demand): POD_55/0422
AK Scientific: Z3083...72 total

ref: mol2, SDF, SMILES, flexibase
-0.92,-0.33,-6.91,3,4,0, 137.142, 1
ref: mol2, SDF, SMILES, flexibase
-0.92,-0.54,-6.97,3,4,0, 137.142, 1
ref: mol2, SDF, SMILES, flexibase
0.35,1.58,-22.54,3,4,0, 137.142, 1
ref: mol2, SDF, SMILES, flexibase
0.35,1.37,-27.25,3,4,0, 137.142, 1
mid: mol2, SDF, SMILES, flexibase
0.35,1.32,-36.86,4,4,1, 138.15, 1
mid: mol2, SDF, SMILES, flexibase
0.35,1.53,-33.24,4,4,1, 138.15, 1
mid: mol2, SDF, SMILES, flexibase
0.35,1.14,-51.68,4,4,1, 138.15, 1
15830485
 
#15

eMolecules: 43446917
Molport: MolPort-016-631-925, MolPort-000-002-478
Scientific Exchange (make on demand): POD_18/0677
Acros Organics: SPB06960
AK Scientific: W6566...68 total

ref: mol2, SDF, SMILES, flexibase
0.93,1.9,-5.54,3,3,0, 170.599, 1

Similar to: 33801421, 34455135, 12369940,
12504600
 
#16

ChemMol: 80100983
eMolecules: 206928774
Molport: MolPort-002-463-771, MolPort-000-002-541
Scientific Exchange (make on demand): F-405495
Aldrich CPR: CDS004478|ALDRICH...47 total

ref: mol2, SDF, SMILES, flexibase
0.88,2.08,-7.52,3,3,0, 170.599, 1
ref: mol2, SDF, SMILES, flexibase
0.88,1.39,-6.15,3,3,0, 170.599, 1
ref: mol2, SDF, SMILES, flexibase
1.01,1.46,-27.91,4,3,1, 171.607, 2
mid: mol2, SDF, SMILES, flexibase
1.01,2.46,-18.18,3,3,0, 170.599, 2

Similar to: 6293029,
26329865
 
#17

MicroCombiChem BB: MCC1039
MicroCombiChem (Depleted): 1039
PubChem: 11400990
ref: mol2, SDF, SMILES, flexibase
-0.20,0.85,-9.39,0,4,0, 167.164, 1
lo: mol2, SDF, SMILES, flexibase
-0.20,-0.27,-45.21,1,4,1, 168.172, 1
15974506
 
#18

ChemMol: 44013238
eMolecules: 854138
Scientific Exchange (make on demand): M-264684
AK Scientific: HTS003435
AKOS: AKOS000200394...60 total

ref: mol2, SDF, SMILES, flexibase
0.83,1.9,-29.02,4,3,1, 151.189, 2
ref: mol2, SDF, SMILES, flexibase
0.70,2.06,-6.21,3,3,0, 150.181, 1
mid: mol2, SDF, SMILES, flexibase
0.83,2.97,-19.44,3,3,0, 150.181, 2
lo: mol2, SDF, SMILES, flexibase
0.70,1.89,-29.09,4,3,1, 151.189, 1

Similar to: 37078872, 6474339, 4428739,
45007923
 
#19

MicroCombiChem BB: MCC1044
ref: mol2, SDF, SMILES, flexibase
3.07,10.36,-11.51,2,3,0, 299.424, 4
335399
 
#20

ChemMol: 1031603
eMolecules: 837073
Scientific Exchange (make on demand): K-041850
AK Scientific: 4031AE
AKOS: AKOS000265529...58 total

ref: mol2, SDF, SMILES, flexibase
1.56,3.48,-7.6,2,3,0, 185.248, 2

Similar to: 34364218, 36220452, 36224344,
2039788
 
#21

MicroCombiChem BB: MCC1046
Rare Chemicals: AQNN0277
ChemDB: 7550547
Food Database: FDB003164
HMDB Endogenous: HMDB31151...12 total

ref: mol2, SDF, SMILES, flexibase
0.93,-1.85,-3.48,1,3,0, 165.963, 0
45007925
 
#22

MicroCombiChem BB: MCC1047
MolMall (formerly Molecular Diversity Preservation International): 101779
ref: mol2, SDF, SMILES, flexibase
0.63,4.86,-8.74,1,6,0, 259.052, 2
114916
 
#23

eMolecules: 520816
AKOS: AKOS000348766
Alinda Building Blocks: ALBB-017530
Chembo Pharma: KB-297208
Enamine: Z56785092...35 total

ref: mol2, SDF, SMILES, flexibase
2.27,1.02,-3.43,0,3,0, 242.061, 1

Similar to: 4137300,
13216788
 
#24

MicroCombiChem BB: MCC1052
NCI Plated 2007: 600473
ChEMBL19: CHEMBL1995104
ChemDB: 4912615
PubChem: 353156...5 total

ref: mol2, SDF, SMILES, flexibase
1.96,8.2,-7.24,0,3,0, 265.388, 0
1586388
 
#25

eMolecules: 25607903
Molport: MolPort-008-389-879
ChemBridge: 9196113
Lab Seeker Building Blocks: SC-61653
Mcule: MCULE-6767817470...26 total

ref: mol2, SDF, SMILES, flexibase
3.59,0.29,-2.91,1,1,0, 197.281, 3

Similar to: 21786929, 32132804, 32257404, 34371889, 34462726, ... 7 in total.
84164
 
#26

eMolecules: 1160016
Scientific Exchange (make on demand): POD_01/0416
AKOS: AKOS000809610
Aldrich CPR: S538884|ALDRICH
Chembo Pharma: KB-223090...30 total

ref: mol2, SDF, SMILES, flexibase
3.65,7.3,-8.74,0,3,0, 237.258, 1

Similar to: 32224508, 36375575,
35815
 
#27

ChemMol: 2200011, 80100011
eMolecules: 440443
Scientific Exchange: POD_03/0324
ACB Blocks: AME-0026
Acorn PharmaTech: ACN-S001659...94 total

ref: mol2, SDF, SMILES, flexibase
2.52,5.64,-7.76,2,3,0, 225.313, 3

Similar to: 34342725, 36224408, 36225045, 36225046, ... 4 in total.
47824
 
#28

eMolecules: 815591
AK Scientific: X0338
AKOS: AKOS000112155
Alinda: IBS-L0179829
Alinda Building Blocks: ALBB-001565...57 total

ref: mol2, SDF, SMILES, flexibase
1.86,4.22,-11.3,2,4,0, 227.285, 4

Similar to: 5359244, 36224472, 36224473, 36224474, ... 4 in total.
626072
 
#29

eMolecules: 619402
Molport: MolPort-001-015-505
Scientific Exchange (make on demand): POD_68/0425
AKOS: AKOS000603506
Aldrich CPR: R291137|ALDRICH...19 total

ref: mol2, SDF, SMILES, flexibase
4.34,0.14,-13.93,2,5,0, 420.303, 4

Similar to: 2476876, 2476880, 2476882, 2476883, ... 7 in total.
626071
 
#30

eMolecules: 619402
Molport: MolPort-001-015-505
Scientific Exchange (make on demand): POD_68/0425
AKOS: AKOS000603506
Aldrich CPR: R291137|ALDRICH...19 total

ref: mol2, SDF, SMILES, flexibase
4.34,0.14,-13.73,2,5,0, 420.303, 4

Similar to: 626072, 2476876, 2476880, 2476882, 2476883, ... 7 in total.
1083111
 
#31

eMolecules: 534640
Scientific Exchange: C-059569
AK Scientific: HTS004365
AKOS: AKOS000119527
Alinda: IBS-L0181197...51 total

ref: mol2, SDF, SMILES, flexibase
-0.16,1.21,-8.94,2,3,0, 148.212, 0
59916722
 
#32

MicroCombiChem BB: MCC1093
PubChem: 23164643
SureChEMBL: SCHEMBL9795949
ref: mol2, SDF, SMILES, flexibase
2.13,4.21,-10.31,0,4,0, 246.653, 0
5722109
 
#33

MicroCombiChem BB: MCC1105
MolMall (formerly Molecular Diversity Preservation International): 101746
NCI Plated 2007: 634654
ChEMBL19: CHEMBL1989436
ChemDB: 4918523...6 total

ref: mol2, SDF, SMILES, flexibase
2.79,2.58,-11.17,0,3,0, 289.089, 3

Similar to: 1624111,
1624111
 
#34

MicroCombiChem BB: MCC1105
MolMall (formerly Molecular Diversity Preservation International): 101746
ChEMBL19: CHEMBL1989436
ChemDB: 4918523
PubChem: 366303...5 total

ref: mol2, SDF, SMILES, flexibase
2.79,2.6,-11.25,0,3,0, 289.089, 3

Similar to: 5722109,
45007935
 
#35

MicroCombiChem BB: MCC1107
ref: mol2, SDF, SMILES, flexibase
6.11,14.03,-15.95,0,3,0, 462.181, 6
45007938
 
#36

MicroCombiChem BB: MCC1107
ref: mol2, SDF, SMILES, flexibase
6.11,14.03,-15.97,0,3,0, 462.181, 6
5813511
 
#37

MicroCombiChem BB: MCC1109
MolMall (formerly Molecular Diversity Preservation International): 101735
NCI Plated 2007: 625810
ChEMBL19: CHEMBL1971387
ChemDB: 4914896...7 total

ref: mol2, SDF, SMILES, flexibase
3.31,1.69,-10.68,0,3,0, 305.544, 3

Similar to: 1618358,
1618358
 
#38

MicroCombiChem BB: MCC1109
MolMall (formerly Molecular Diversity Preservation International): 101735
ChEMBL19: CHEMBL1971387
ChemDB: 4914896
PubChem: 362209...6 total

ref: mol2, SDF, SMILES, flexibase
3.31,1.71,-10.78,0,3,0, 305.544, 3

Similar to: 5813511,
45007950
 
#39

MicroCombiChem BB: MCC1111
ref: mol2, SDF, SMILES, flexibase
3.44,9.05,-11.16,0,3,0, 349.995, 3
45007954
 
#40

MicroCombiChem BB: MCC1111
ref: mol2, SDF, SMILES, flexibase
3.44,9.05,-11.16,0,3,0, 349.995, 3
1618360
 
#41

MicroCombiChem BB: MCC1112
ChEMBL19: CHEMBL1994704
ChemDB: 4914899
PubChem: 362213
ref: mol2, SDF, SMILES, flexibase
3.91,1.55,-12.66,0,3,0, 339.989, 3

Similar to: 5813512,
5813512
 
#42

MicroCombiChem BB: MCC1112
NCI Plated 2007: 625815
ChEMBL19: CHEMBL1994704
ChemDB: 4914899
PubChem: 362213...5 total

ref: mol2, SDF, SMILES, flexibase
3.91,1.55,-12.66,0,3,0, 339.989, 3

Similar to: 1618360,
20607974
 
#43

eMolecules: 8868210
Molport: MolPort-002-776-135
AKOS: AKOS005369757
Mcule: MCULE-7300119483
MicroCombiChem BB: MCC1113...12 total

ref: mol2, SDF, SMILES, flexibase
6.10,9.23,-6.51,0,3,0, 347.226, 2
1391253
 
#44

eMolecules: 569826
Molport: MolPort-002-565-326
AKOS: AKOS001025749
Aldrich CPR: L320005|ALDRICH
IBScreen: STOCK2S-38207...26 total

ref: mol2, SDF, SMILES, flexibase
2.48,6.61,-18.37,2,4,0, 240.262, 2

Similar to: 6665429,
26330031
 
#45

MicroCombiChem BB: MCC1141
MolMall (formerly Molecular Diversity Preservation International): 101756
MicroCombiChem (Depleted): 1141
PubChem: 33572707
ref: mol2, SDF, SMILES, flexibase
2.66,7.66,-14.26,0,4,0, 301.125, 4

Similar to: 26330026,
26330026
 
#46

MicroCombiChem BB: MCC1141
MolMall (formerly Molecular Diversity Preservation International): 101756
MicroCombiChem (Depleted): 1141
PubChem: 33572701
ref: mol2, SDF, SMILES, flexibase
2.66,7.66,-14.31,0,4,0, 301.125, 4

Similar to: 26330031,
45007967
 
#47

MicroCombiChem BB: MCC1147
MolMall (formerly Molecular Diversity Preservation International): 101755
ref: mol2, SDF, SMILES, flexibase
2.53,7.54,-10.5,0,3,0, 277.128, 3
45007971
 
#48

MicroCombiChem BB: MCC1147
MolMall (formerly Molecular Diversity Preservation International): 101755
ref: mol2, SDF, SMILES, flexibase
2.53,7.54,-10.5,0,3,0, 277.128, 3
26330056
 
#49

Aldrich CPR: CCA002399|ALDRICH
MicroCombiChem BB: MCC1148
MolMall (formerly Molecular Diversity Preservation International): 101768
MicroCombiChem (Depleted): 1148
PubChem: 33572734...7 total

ref: mol2, SDF, SMILES, flexibase
1.89,6.49,-10.52,0,4,0, 261.06, 3

Similar to: 26330061,
26330061
 
#50

Aldrich CPR: CCA002399|ALDRICH
MicroCombiChem BB: MCC1148
MolMall (formerly Molecular Diversity Preservation International): 101768
MicroCombiChem (Depleted): 1148
PubChem: 33572739...7 total

ref: mol2, SDF, SMILES, flexibase
1.89,6.55,-10.58,0,4,0, 261.06, 3

Similar to: 26330056,
26330075
 
#51

MicroCombiChem BB: MCC1154
ChEMBL12: CHEMBL456863
ChEMBL19: CHEMBL456863
MicroCombiChem (Depleted): 1154
PubChem: 15304512...9 total

ref: mol2, SDF, SMILES, flexibase
3.57,7.42,-5.81,0,2,0, 206.285, 5

Similar to: 31362382, 34575430, 44135199,
6816902
 
#52

MicroCombiChem BB: MCC1155
AsisChem (Depleted): ACLSC-188598
ChemDB: 6618011
MicroCombiChem (Depleted): 1155
PubChem: 4651413...8 total

ref: mol2, SDF, SMILES, flexibase
3.94,10.15,-6.19,0,1,0, 225.266, 2

Similar to: 34552676, 36888622, 36888623, 37011650, 37011651, ... 6 in total.
26330096
 
#53

MicroCombiChem BB: MCC1157
MicroCombiChem (Depleted): 1157
PubChem: 33572777, 10808378
ref: mol2, SDF, SMILES, flexibase
4.44,11.9,-9.5,0,3,0, 358.865, 4

Similar to: 34430364, 34430365, 26330092,
26330092
 
#54

MicroCombiChem BB: MCC1157
MicroCombiChem (Depleted): 1157
PubChem: 33572774, 10808378
ref: mol2, SDF, SMILES, flexibase
4.44,11.9,-9.41,0,3,0, 358.865, 4

Similar to: 26330096, 34430364, 34430365,
26330113
 
#55

MicroCombiChem BB: MCC1158
MicroCombiChem (Depleted): 1158
PubChem: 33572794, 10800916
ref: mol2, SDF, SMILES, flexibase
1.59,6.2,-9.86,0,4,0, 254.241, 0

Similar to: 26330101, 26330109,
26330101
 
#56

MicroCombiChem BB: MCC1158
MicroCombiChem (Depleted): 1158
PubChem: 10800916
ref: mol2, SDF, SMILES, flexibase
1.59,6.21,-9.68,0,4,0, 254.241, 0

Similar to: 26330109, 26330113,
26330109
 
#57

MicroCombiChem BB: MCC1158
MicroCombiChem (Depleted): 1158
PubChem: 33572791, 10800916
ref: mol2, SDF, SMILES, flexibase
1.59,6.5,-11.08,0,4,0, 254.241, 0

Similar to: 26330113, 26330101,
26330117
 
#58

MicroCombiChem BB: MCC1159
MicroCombiChem (Depleted): 1159
PubChem: 33572798, 10354361
ref: mol2, SDF, SMILES, flexibase
1.94,5.64,-11.51,0,4,0, 242.23, 0

Similar to: 26330208, 26330213, 26330219,
26330123
 
#59

MicroCombiChem BB: MCC1162
MicroCombiChem (Depleted): 1162
PubChem: 33572804, 10037369
ref: mol2, SDF, SMILES, flexibase
1.94,5.63,-11.17,0,4,0, 242.23, 0

Similar to: 26330127,
26330127
 
#60

MicroCombiChem BB: MCC1162
MicroCombiChem (Depleted): 1162
PubChem: 33572809, 10037369
ref: mol2, SDF, SMILES, flexibase
1.94,5.67,-10.86,0,4,0, 242.23, 0

Similar to: 26330123,
26330131
 
#61

MicroCombiChem BB: MCC1163
MolMall (formerly Molecular Diversity Preservation International): 101765
MicroCombiChem (Depleted): 1163
PubChem: 15304498
ref: mol2, SDF, SMILES, flexibase
2.19,6.08,-10.88,0,4,0, 256.257, 2
26330136
 
#62

MicroCombiChem BB: MCC1164
MolMall (formerly Molecular Diversity Preservation International): 101769
MicroCombiChem (Depleted): 1164
PubChem: 33572819, 10107925
ref: mol2, SDF, SMILES, flexibase
3.34,7.88,-11.34,0,4,0, 284.311, 3
26330145
 
#63

MicroCombiChem BB: MCC1165
MicroCombiChem (Depleted): 1165
PubChem: 15304523
ref: mol2, SDF, SMILES, flexibase
1.37,5.7,-12.63,0,4,0, 244.246, 2
26330150
 
#64

MicroCombiChem BB: MCC1166
MicroCombiChem (Depleted): 1166
PubChem: 10263160
ref: mol2, SDF, SMILES, flexibase
1.61,5.09,-12.03,0,4,0, 228.203, 0
26330155
 
#65

MicroCombiChem BB: MCC1167
MolMall (formerly Molecular Diversity Preservation International): 101736
MicroCombiChem (Depleted): 1167
PubChem: 33572841
ref: mol2, SDF, SMILES, flexibase
3.69,6.87,-7.93,0,4,0, 282.295, 1

Similar to: 38437256, 38601031, 38779275,
26330159
 
#66

MicroCombiChem BB: MCC1168
MolMall (formerly Molecular Diversity Preservation International): 101733
MicroCombiChem (Depleted): 1168
PubChem: 33572845, 10332854
ref: mol2, SDF, SMILES, flexibase
3.24,6.99,-9.83,0,3,0, 260.676, 0

Similar to: 26330163,
26330163
 
#67

MicroCombiChem BB: MCC1168
MolMall (formerly Molecular Diversity Preservation International): 101733
MicroCombiChem (Depleted): 1168
PubChem: 33572850, 10332854
ref: mol2, SDF, SMILES, flexibase
3.24,6.99,-9.9,0,3,0, 260.676, 0

Similar to: 26330159,
26330168
 
#68

MicroCombiChem BB: MCC1169
MicroCombiChem (Depleted): 1169
PubChem: 33572856
ref: mol2, SDF, SMILES, flexibase
2.28,7.32,-11.12,0,4,0, 286.327, 3
26330175
 
#69

MicroCombiChem BB: MCC1171
MicroCombiChem (Depleted): 1171
PubChem: 33572863, 9971113
ref: mol2, SDF, SMILES, flexibase
3.10,6.77,-10.56,0,4,0, 284.311, 1

Similar to: 26330200,
26330183
 
#70

MicroCombiChem BB: MCC1172
MicroCombiChem (Depleted): 1172
PubChem: 33572871
ref: mol2, SDF, SMILES, flexibase
3.03,7.42,-10.89,0,4,0, 284.311, 2

Similar to: 26330187, 26330192, 26330224,
26330192
 
#71

MicroCombiChem BB: MCC1172
MicroCombiChem (Depleted): 1172
PubChem: 33572881
ref: mol2, SDF, SMILES, flexibase
3.03,7.45,-10.43,0,4,0, 284.311, 2

Similar to: 26330224, 26330183, 26330187,
26330187
 
#72

MicroCombiChem BB: MCC1172
MicroCombiChem (Depleted): 1172
PubChem: 33572875
ref: mol2, SDF, SMILES, flexibase
3.02,7.41,-10.49,0,4,0, 284.311, 2

Similar to: 26330192, 26330224, 26330183,
38524644
 
#73

MicroCombiChem BB: MCC1173
PubChem: 10331263
ref: mol2, SDF, SMILES, flexibase
2.06,4.94,-10.97,0,4,0, 226.187, 0
26330200
 
#74

MicroCombiChem BB: MCC1174
MicroCombiChem (Depleted): 1174
PubChem: 33572889, 10061663
ref: mol2, SDF, SMILES, flexibase
2.52,6.78,-10.41,0,4,0, 270.284, 1

Similar to: 26330175,
26330213
 
#75

MicroCombiChem BB: MCC1176
MicroCombiChem (Depleted): 1176
PubChem: 33572904
ref: mol2, SDF, SMILES, flexibase
2.26,5.99,-10.23,0,4,0, 256.257, 0

Similar to: 26330219, 26330117, 26330208,
26330219
 
#76

MicroCombiChem BB: MCC1176
MicroCombiChem (Depleted): 1176
PubChem: 33572909
ref: mol2, SDF, SMILES, flexibase
2.26,6.18,-10.47,0,4,0, 256.257, 0

Similar to: 26330117, 26330208, 26330213,
26330208
 
#77

MicroCombiChem BB: MCC1176
MicroCombiChem (Depleted): 1176
PubChem: 33572898
ref: mol2, SDF, SMILES, flexibase
2.26,6.19,-10.19,0,4,0, 256.257, 0

Similar to: 26330213, 26330219, 26330117,
26330224
 
#78

MicroCombiChem BB: MCC1177
MolMall (formerly Molecular Diversity Preservation International): 101747
MicroCombiChem (Depleted): 1177
PubChem: 33572914, 10265125
ref: mol2, SDF, SMILES, flexibase
2.84,7.11,-11.17,0,4,0, 270.284, 2

Similar to: 26330183, 26330187, 26330192,
26330231
 
#79

MicroCombiChem BB: MCC1178
MicroCombiChem (Depleted): 1178
PubChem: 9991859
ref: mol2, SDF, SMILES, flexibase
2.43,5.53,-9.74,0,4,0, 240.214, 0

Similar to: 38764954,
26330236
 
#80

MicroCombiChem BB: MCC1179
MolMall (formerly Molecular Diversity Preservation International): 101731
MicroCombiChem (Depleted): 1179
PubChem: 33572925, 10106438
ref: mol2, SDF, SMILES, flexibase
2.28,6.33,-11.07,0,4,0, 256.257, 1
26330245
 
#81

MicroCombiChem BB: MCC1180
MolMall (formerly Molecular Diversity Preservation International): 101759
MicroCombiChem (Depleted): 1180
PubChem: 10945506
ref: mol2, SDF, SMILES, flexibase
2.66,6.83,-10.78,0,4,0, 270.284, 3
26330250
 
#82

MicroCombiChem BB: MCC1181
MicroCombiChem (Depleted): 1181
PubChem: 15304532
ref: mol2, SDF, SMILES, flexibase
1.74,6.62,-12.48,0,4,0, 258.273, 3
26330254
 
#83

MicroCombiChem BB: MCC1182
MicroCombiChem (Depleted): 1182
ref: mol2, SDF, SMILES, flexibase
2.65,8.27,-11.21,0,4,0, 300.354, 4
26330266
 
#84

MicroCombiChem BB: MCC1183
MicroCombiChem (Depleted): 1183
PubChem: 33572952
ref: mol2, SDF, SMILES, flexibase
2.07,7.2,-11.31,0,4,0, 272.3, 3

Similar to: 26330262,
26330262
 
#85

MicroCombiChem BB: MCC1183
MicroCombiChem (Depleted): 1183
PubChem: 33572949
ref: mol2, SDF, SMILES, flexibase
2.07,7.17,-11.63,0,4,0, 272.3, 3

Similar to: 26330266,
26330308
 
#86

MicroCombiChem BB: MCC1192
MicroCombiChem (Depleted): 1192
PubChem: 33572998
ref: mol2, SDF, SMILES, flexibase
3.65,9.18,-8.76,0,4,0, 270.332, 3
mid: mol2, SDF, SMILES, flexibase
-0.78,9.1,-32.84,0,4,1, 271.34, 4

Similar to: 26330312, 34439080,
26330312
 
#87

MicroCombiChem BB: MCC1192
MicroCombiChem (Depleted): 1192
PubChem: 33573001
ref: mol2, SDF, SMILES, flexibase
3.65,9.19,-8.68,0,4,0, 270.332, 3
mid: mol2, SDF, SMILES, flexibase
-0.78,9.1,-32.75,0,4,1, 271.34, 4

Similar to: 34439080, 26330308,
26330350
 
#88

MicroCombiChem BB: MCC1220
MicroCombiChem (Depleted): 1220
PubChem: 638920
ref: mol2, SDF, SMILES, flexibase
1.61,5.39,-6.87,0,2,0, 162.188, 0

Similar to: 34469141, 34469143, 39118978,
135087
 
#89

eMolecules: 1009146
Molport: MolPort-002-013-228
AKOS: AKOS000320618
Asinex: BAS00792891, BAS08330565
Maybridge: BTB13233...22 total

ref: mol2, SDF, SMILES, flexibase
1.57,5.77,-8.84,1,5,0, 231.255, 2

Similar to: 4063864,
3123019
 
#90

Aldrich CPR: S49779|ALDRICH
Element Store BB: b2star-1839-72-1
Florida Heterocyclic Compounds: 11101
MicroCombiChem BB: MCC1227
Molport BB: MolPort-001-796-839...29 total

ref: mol2, SDF, SMILES, flexibase
4.18,1.98,-6.68,0,1,0, 194.233, 1

Similar to: 5777143, 5777144, 32267614, 33824715, 34321759, ... 22 in total.
26330380
 
#91

MicroCombiChem BB: MCC1233
Individual Suppliers: C26330380
MicroCombiChem (Depleted): 1233
PubChem: 33573077
ref: mol2, SDF, SMILES, flexibase
1.28,2.69,-12.52,2,3,0, 173.285, 2
lo: mol2, SDF, SMILES, flexibase
1.28,4.77,-55.72,3,3,1, 174.293, 2
6510901
 
#92

Mcule: MCULE-8027766283
MicroCombiChem BB: MCC1238
ChemDB: 5776754
MicroCombiChem (Depleted): 1238
PubChem: 672298...8 total

ref: mol2, SDF, SMILES, flexibase
2.05,6.7,-11.28,1,3,0, 200.241, 3
142597
 
#93

eMolecules: 873845
Molport: MolPort-000-881-987, MolPort-001-622-355
Scientific Exchange (make on demand): POD_12/0681
AKOS: AKOS000278130
Alinda: IBS-L0045584...27 total

ref: mol2, SDF, SMILES, flexibase
2.97,7.01,-20.32,2,4,0, 282.343, 6

Similar to: 34616092,
26330390
 
#94

MicroCombiChem BB: MCC1241
MolMall (formerly Molecular Diversity Preservation International): 101766, 101767
Otava (Virtual): 9100084
MicroCombiChem (Depleted): 1241
PubChem: 19008545...7 total

ref: mol2, SDF, SMILES, flexibase
4.02,9.54,-24.63,2,4,0, 310.397, 6

Similar to: 34958953, 5884447, 25841757, 25841762, 25841767, ... 5 in total.
54829
 
#95

eMolecules: 757598
Molport: MolPort-000-891-034
Scientific Exchange: CN4/4170
AKOS: AKOS000115150
Aldrich CPR: S591920|ALDRICH...46 total

ref: mol2, SDF, SMILES, flexibase
2.19,-0.5,-20.4,2,4,0, 254.289, 4

Similar to: 34958950,
54830
 
#96

eMolecules: 793433
Molport: MolPort-002-044-398
Scientific Exchange: POD_09/0291
AKOS: AKOS003628106
Labotest: LT03548828...26 total

ref: mol2, SDF, SMILES, flexibase
2.30,5.32,-22.05,2,6,0, 314.341, 6

Similar to: 16428210,
54828
 
#97

eMolecules: 1160760
Molport: MolPort-001-914-427
Scientific Exchange: POD_09/0280
AKOS: AKOS000115052
Asinex: BAS00096456...33 total

ref: mol2, SDF, SMILES, flexibase
3.09,8.09,-20.53,2,4,0, 282.343, 4

Similar to: 25841767, 34958953,
392381
 
#98

eMolecules: 1097589
Molport: MolPort-001-833-205
AKOS: AKOS005613067
Aldrich CPR: S671711|ALDRICH, S193542|ALDRICH
ChemBridge: 5668152...21 total

ref: mol2, SDF, SMILES, flexibase
4.00,7.98,-5.57,0,2,0, 240.302, 4

Similar to: 5821130, 32201537, 33835973, 34219180, 34635982, ... 6 in total.
151423
 
#99

eMolecules: 657259
Scientific Exchange: POD_09/0254
AKOS: AKOS000115056
Aldrich CPR: R627259|ALDRICH
ChemBridge: 5402602...28 total

ref: mol2, SDF, SMILES, flexibase
1.59,7.23,-16.41,2,4,0, 282.343, 6

Similar to: 5167727,
634473
 
#100

Molport: MolPort-002-881-971
AKOS: AKOS005104715
Aldrich CPR: R631531|ALDRICH
KeyOrganics: 9E-917
Mcule: MCULE-1170104539...16 total

ref: mol2, SDF, SMILES, flexibase
4.76,8.96,-12.6,2,4,0, 392.069, 4
hi: mol2, SDF, SMILES, flexibase
4.77,7.68,-40.08,2,4,-1, 391.061, 4

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 = 497 ) limit 0,100

Smiles were