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Supplier information; Representations
Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB
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8609444
 
#1

eMolecules: 6265143
AKOS: AKOS001765454
Life Chemicals: F3165-0028
Mcule: MCULE-3721903738
ChEMBL19: CHEMBL1877418...8 total

ref: mol2, SDF, SMILES, flexibase
5.25,13.95,-15.74,1,7,0, 500.986, 6
42164
 
#2

eMolecules: 1237461, 30389452
Molport: MolPort-005-971-179, MolPort-001-889-876
AKOS: AKOS000550510, AKOS005572227
Asinex: BAS00525848
IBScreen: STOCK1S-60218...22 total

ref: mol2, SDF, SMILES, flexibase
2.23,6.09,-51.1,2,5,-1, 313.72, 2
mid: mol2, SDF, SMILES, flexibase
3.52,-4.65,-9.17,3,5,0, 314.728, 2
mid: mol2, SDF, SMILES, flexibase
3.07,4.52,-13.45,3,5,0, 314.728, 2
3177548
 
#3

eMolecules: 6184296
AKOS: AKOS001600863
ChemDiv: 2300-3494
Life Chemicals: F3165-0018
Mcule: MCULE-6304083042...10 total

ref: mol2, SDF, SMILES, flexibase
6.80,4.01,-12.89,0,5,0, 447.556, 9
8972225
 
#4

eMolecules: 1168622
Molport: MolPort-001-641-311
AKOS: AKOS000622719
IBScreen: STOCK1S-24110
Life Chemicals: F3165-0015...13 total

ref: mol2, SDF, SMILES, flexibase
3.52,9.89,-16.4,1,5,0, 348.468, 6
12719948
 
#5

eMolecules: 5651465
Molport: MolPort-003-701-868
AKOS: AKOS001577932
ChemDiv: 0840-0009
Life Chemicals: F3165-0007...15 total

ref: mol2, SDF, SMILES, flexibase
2.40,3,-13.69,3,6,0, 325.299, 3

Similar to: 187616,
12719947
 
#6

eMolecules: 45807367
Molport: MolPort-002-810-744
American Custom Chemicals Corp.: HCH0241875
Life Chemicals: F3165-0006
Mcule: MCULE-8450949451...13 total

ref: mol2, SDF, SMILES, flexibase
3.06,3.81,-11.66,3,6,0, 359.744, 3

Similar to: 652699,
9319161
 
#7

eMolecules: 6265139
Life Chemicals: F3165-0004
Mcule: MCULE-6072133734
Mcule Make-on-demand: MCULE-6072133734
ref: mol2, SDF, SMILES, flexibase
8.03,2.34,-21.38,1,5,0, 466.581, 8

Similar to: 5918948, 5918956, 8756671,
8756671
 
#8

eMolecules: 6265139
Life Chemicals: F3165-0004
Mcule: MCULE-6072133734
Mcule Make-on-demand: MCULE-6072133734
ref: mol2, SDF, SMILES, flexibase
8.03,2.34,-21.33,1,5,0, 466.581, 8

Similar to: 9319161, 5918948, 5918956,
10103671
 
#9

eMolecules: 5736646
Molport: MolPort-003-361-129
Innovapharm: STT-00371529
Life Chemicals: F3164-1950
Mcule: MCULE-4650928623...10 total

ref: mol2, SDF, SMILES, flexibase
3.96,3.77,-16.67,0,8,0, 441.491, 4

Similar to: 9713232, 9713260,
7003284
 
#10

eMolecules: 2883270
AKOS: AKOS001106116
Life Chemicals: F3309-1215
Mcule: MCULE-7545319438
UORSY: PB57438170...10 total

ref: mol2, SDF, SMILES, flexibase
3.82,-5.19,-12.76,1,5,0, 346.383, 4

Similar to: 38468618,
4945237
 
#11

eMolecules: 1552150
Molport: MolPort-002-027-591
AKOS: AKOS000726789
Asinex: BAS13765753
ChemBridge: 9039862...17 total

ref: mol2, SDF, SMILES, flexibase
1.50,10.74,-15.64,0,8,0, 333.392, 5
mid: mol2, SDF, SMILES, flexibase
1.50,11.22,-36.57,1,8,1, 334.4, 5
12419037
 
#12

eMolecules: 9290108
AKOS: AKOS002767512
Life Chemicals: F3309-1214
Mcule: MCULE-9976783489
Princeton BioMolecular Research: OSSL_412478...12 total

ref: mol2, SDF, SMILES, flexibase
4.47,-6.69,-12.48,1,5,0, 407.289, 4

Similar to: 38468618,
4387156
 
#13

eMolecules: 1552146
Molport: MolPort-002-027-589
AKOS: AKOS000726763
Asinex: BAS13765748
Innovapharm: STT-00368179...14 total

ref: mol2, SDF, SMILES, flexibase
2.91,8.44,-9.15,1,8,0, 414.897, 4
6186039
 
#14

eMolecules: 207244971, 26258021
Molport: MolPort-003-596-706, MolPort-002-554-761
AKOS: AKOS001294628
Enamine: Z223825886
IBScreen: STOCK1S-79731...17 total

ref: mol2, SDF, SMILES, flexibase
2.64,9.42,-10.27,2,10,0, 393.407, 4
ref: mol2, SDF, SMILES, flexibase
2.64,9.28,-15.79,2,10,0, 393.407, 4
5252222
 
#15

eMolecules: 5651461
Molport: MolPort-003-353-984
AKOS: AKOS001298143
Enamine: Z223844058
Innovapharm: STT-00367542...14 total

ref: mol2, SDF, SMILES, flexibase
1.46,-3.9,-13.51,2,9,0, 372.41, 5
2305938
 
#16

eMolecules: 45807365
Molport: MolPort-003-596-704
AKOS: AKOS001299791
American Custom Chemicals Corp.: HCH0159177
Innovapharm: STT-00367509...11 total

ref: mol2, SDF, SMILES, flexibase
2.78,-1.58,-14.44,2,8,0, 443.305, 6
mid: mol2, SDF, SMILES, flexibase
2.78,-1.28,-36.12,3,8,1, 444.313, 6

Similar to: 8926357, 32117020,
5252221
 
#17

eMolecules: 2531708
Molport: MolPort-019-741-468, MolPort-002-303-163
American Custom Chemicals Corp.: CHM0254325
ChemBridge: 9005512
Innovapharm: STT-00367493...15 total

ref: mol2, SDF, SMILES, flexibase
3.12,-2.42,-11.09,1,7,0, 385.474, 4
12419034
 
#18

eMolecules: 9290106
AKOS: AKOS002767483
Life Chemicals: F3309-1213
Mcule: MCULE-1811316095
Princeton BioMolecular Research: OSSL_412477...11 total

ref: mol2, SDF, SMILES, flexibase
4.34,-6.08,-12.56,1,5,0, 362.838, 4
5252217
 
#19

eMolecules: 2540694
Molport: MolPort-002-307-050
AKOS: AKOS001300021
ChemBridge: 9029714
Innovapharm: STT-00367388...14 total

ref: mol2, SDF, SMILES, flexibase
1.05,-3.49,-15.67,1,9,0, 410.478, 5
17440293
 
#20

eMolecules: 4385592
Molport: MolPort-002-544-521
IBScreen: STOCK1S-29361
Innovapharm: STT-00367385
Life Chemicals: F3164-1104...15 total

ref: mol2, SDF, SMILES, flexibase
2.59,5.52,-12.94,1,8,0, 436.291, 5
hi: mol2, SDF, SMILES, flexibase
3.04,2.84,-49.99,0,8,-1, 435.283, 5
969701
 
#21

eMolecules: 4570363, 31778077
Molport: MolPort-002-602-843
AKOS: AKOS005700155, AKOS001295088
IBScreen: STOCK4S-18261
Innovapharm: STT-00367384...25 total

ref: mol2, SDF, SMILES, flexibase
2.32,4.72,-12.48,1,8,0, 422.264, 4
hi: mol2, SDF, SMILES, flexibase
2.77,2.05,-50.2,0,8,-1, 421.256, 4
627344
 
#22

eMolecules: 1081838
Molport: MolPort-001-827-822
AKOS: AKOS000718216
Asinex: BAS00341129
Enamine: Z223813690...18 total

ref: mol2, SDF, SMILES, flexibase
2.71,-1.23,-11.33,1,7,0, 406.467, 6

Similar to: 850092,
4809795
 
#23

eMolecules: 2271577
Molport: MolPort-002-099-449
ChemBridge: 7992612
Innovapharm: STT-00367160
Life Chemicals: F3164-0720...13 total

ref: mol2, SDF, SMILES, flexibase
2.22,-3.22,-12.34,1,8,0, 355.379, 4

Similar to: 6565524,
627266
 
#24

eMolecules: 1056198
Molport: MolPort-001-812-925
AKOS: AKOS001301403
IBScreen: STOCK3S-15292
Innovapharm: STT-00367159...17 total

ref: mol2, SDF, SMILES, flexibase
2.12,-2.75,-13.17,2,8,0, 354.395, 4
340894
 
#25

eMolecules: 1102730
Molport: MolPort-001-835-854
AKOS: AKOS000718014
Asinex: BAS00316211
ChemBridge: 9005725...22 total

ref: mol2, SDF, SMILES, flexibase
2.21,8.35,-8.48,1,6,0, 328.397, 5
2294817
 
#26

eMolecules: 30393018, 1191138
Molport: MolPort-001-923-294
AKOS: AKOS000716350, AKOS005577774
Asinex: BAS00316177
IBScreen: STOCK1S-10135...21 total

ref: mol2, SDF, SMILES, flexibase
2.83,-2.9,-6.79,1,7,0, 333.436, 6
mid: mol2, SDF, SMILES, flexibase
-1.22,-2.65,-34.09,2,7,1, 334.444, 5

Similar to: 8387161, 8398380, 8434862, 12437146, ... 4 in total.
3037950
 
#27

eMolecules: 1185109
Molport: MolPort-001-921-477
AKOS: AKOS000716551
Asinex: BAS00288338
Innovapharm: STT-00367135...18 total

ref: mol2, SDF, SMILES, flexibase
3.87,9.09,-11.76,1,7,0, 401.517, 5
8844561
 
#28

eMolecules: 9290102
AKOS: AKOS002767894
Life Chemicals: F3309-1210
Mcule: MCULE-4723780383
Innovapharm Make-on-Demand: VT-00145247...8 total

ref: mol2, SDF, SMILES, flexibase
3.71,-5.65,-13.67,1,5,0, 328.393, 4

Similar to: 34032369, 34966220, 38441071, 39859483, ... 5 in total.
3037948
 
#29

eMolecules: 625953
Molport: MolPort-001-921-476
AKOS: AKOS000716518
Aldrich CPR: R391611|ALDRICH
Asinex: BAS00288337...16 total

ref: mol2, SDF, SMILES, flexibase
3.23,6.82,-12.57,1,8,0, 385.449, 5

Similar to: 6565524,
44526
 
#30

eMolecules: 661887, 31749097
Molport: MolPort-001-830-245
AKOS: AKOS005572988, AKOS001297800
Aldrich CPR: R662526|ALDRICH
ChemBridge: 9007896...24 total

ref: mol2, SDF, SMILES, flexibase
2.28,-1.64,-9.06,2,7,0, 341.415, 6

Similar to: 13739007,
894610
 
#31

eMolecules: 1185073
Molport: MolPort-001-921-457, MolPort-015-161-580
AKOS: AKOS000716451
Asinex: BAS00288277
IBScreen: STOCK1S-09095...19 total

ref: mol2, SDF, SMILES, flexibase
2.00,9.05,-10.68,1,8,0, 355.398, 3
2027171
 
#32

eMolecules: 1953639
Molport: MolPort-002-548-705
AKOS: AKOS001400096
Innovapharm: STT-00377350
Innovapharm Building Blocks: BBS-00017727...21 total

ref: mol2, SDF, SMILES, flexibase
-0.18,0.82,-9.09,2,7,0, 303.116, 3
hi: mol2, SDF, SMILES, flexibase
0.27,-1.84,-47.12,1,7,-1, 302.108, 3
365915
 
#33

eMolecules: 1185063
Molport: MolPort-001-921-452
AKOS: AKOS000716378
Asinex: BAS00288265
Chembo Pharma: KB-270475...21 total

ref: mol2, SDF, SMILES, flexibase
0.78,-2.52,-6.44,1,6,0, 307.535, 2
4945235
 
#34

eMolecules: 43437067, 1552144
Molport: MolPort-002-027-588, MolPort-023-281-511
AKOS: AKOS000726762
Asinex: BAS13765734
ChemBridge: 9038618...25 total

ref: mol2, SDF, SMILES, flexibase
1.03,5.74,-13.45,2,8,0, 313.317, 1
20059450
 
#35

eMolecules: 1552140
Molport: MolPort-002-027-586
AKOS: AKOS000726735
Asinex: BAS13765720
ChemBridge: 9034387...17 total

ref: mol2, SDF, SMILES, flexibase
0.00,7.16,-16.26,1,9,0, 360.418, 4

Similar to: 20816544, 20816550, 4945234,
20059447
 
#36

eMolecules: 2287060
AKOS: AKOS001399760
ChemBridge: 9041715
Enamine: Z247610502
Innovapharm: STT-00372900...15 total

ref: mol2, SDF, SMILES, flexibase
-0.22,6.63,-16.26,1,9,0, 346.391, 4

Similar to: 20816522, 20816529, 4945233,
4945232
 
#37

eMolecules: 5651451
AKOS: AKOS000754951
Asinex: ASN13765713
Enamine: Z237736794
Innovapharm: STT-00377618...17 total

ref: mol2, SDF, SMILES, flexibase
-0.13,8.42,-17.98,1,9,0, 305.294, 4
mid: mol2, SDF, SMILES, flexibase
-0.13,8.9,-40.53,2,9,1, 306.302, 4
5252185
 
#38

eMolecules: 1552134
Molport: MolPort-002-027-583
AKOS: AKOS000726680
Asinex: BAS13765695
Enamine: Z223837956...14 total

ref: mol2, SDF, SMILES, flexibase
3.81,0.99,-12.56,0,8,0, 383.452, 6
4945227
 
#39

eMolecules: 5736508
AKOS: AKOS000754745
Asinex: ASN13765692
Enamine: Z237578576
Innovapharm: STT-00372895...11 total

ref: mol2, SDF, SMILES, flexibase
2.63,12.52,-15.43,0,8,0, 373.457, 5
mid: mol2, SDF, SMILES, flexibase
2.63,13.01,-31.72,1,8,1, 374.465, 5

Similar to: 5076405, 5076406, 4945222,
10103066
 
#40

eMolecules: 5736506
Molport: MolPort-003-361-095
Innovapharm: STT-00377617
Life Chemicals: F3164-0607
Mcule: MCULE-6583630966...11 total

ref: mol2, SDF, SMILES, flexibase
4.52,1.58,-13.48,0,7,0, 425.92, 3
mid: mol2, SDF, SMILES, flexibase
4.52,1.9,-31.48,1,7,1, 426.928, 3
20661114
 
#41

eMolecules: 2542221
Molport: MolPort-002-307-654
AKOS: AKOS001378212
ChemBridge: 9035939
Enamine: Z237731822...16 total

ref: mol2, SDF, SMILES, flexibase
2.15,10.44,-14.9,0,9,0, 414.51, 4
12419031
 
#42

eMolecules: 9290096
AKOS: AKOS002767842
Life Chemicals: F3309-1207
Mcule: MCULE-3427029620
Innovapharm Make-on-Demand: VT-00145243...8 total

ref: mol2, SDF, SMILES, flexibase
3.87,-4.91,-12.09,1,5,0, 346.383, 4

Similar to: 5047507,
10103064
 
#43

eMolecules: 5736504
AKOS: AKOS000754645
Asinex: ASN13765688
Enamine: Z241744636
Innovapharm: STT-00372892...13 total

ref: mol2, SDF, SMILES, flexibase
3.73,2.91,-18.71,0,9,0, 449.511, 6
mid: mol2, SDF, SMILES, flexibase
3.73,3.23,-35.56,1,9,1, 450.519, 6
4945223
 
#44

eMolecules: 5736496
AKOS: AKOS000754429
Asinex: ASN13765684
Life Chemicals: F3164-0600
Mcule: MCULE-9581016201...11 total

ref: mol2, SDF, SMILES, flexibase
1.82,12.09,-19.63,0,8,0, 357.414, 3
mid: mol2, SDF, SMILES, flexibase
1.82,12.59,-35.03,1,8,1, 358.422, 3
4945222
 
#45

eMolecules: 5736494
AKOS: AKOS000754428
Asinex: ASN13765683
Life Chemicals: F3164-0599
Mcule: MCULE-1546860220...12 total

ref: mol2, SDF, SMILES, flexibase
2.26,11.55,-15.48,0,8,0, 359.43, 4
mid: mol2, SDF, SMILES, flexibase
2.26,12.05,-31.9,1,8,1, 360.438, 4

Similar to: 4945227, 5076405, 5076406,
4945220
 
#46

eMolecules: 5736490
AKOS: AKOS000754317
Asinex: ASN13765680
Enamine: Z247606780
Innovapharm: STT-00372887...14 total

ref: mol2, SDF, SMILES, flexibase
4.62,16.2,-15.13,0,7,0, 417.513, 4
mid: mol2, SDF, SMILES, flexibase
4.62,16.7,-32.59,1,7,1, 418.521, 4
5252181
 
#47

eMolecules: 5736488
Molport: MolPort-003-361-094
Innovapharm: STT-00377616
Life Chemicals: F3164-0595
Mcule: MCULE-3084400084...11 total

ref: mol2, SDF, SMILES, flexibase
4.59,1.97,-15,0,7,0, 419.529, 5

Similar to: 5076271,
4945219
 
#48

eMolecules: 5736486
AKOS: AKOS000754211
Asinex: ASN13765678
Life Chemicals: F3164-0594
Mcule: MCULE-1187218229...13 total

ref: mol2, SDF, SMILES, flexibase
4.07,15.68,-14.15,0,7,0, 405.502, 4
mid: mol2, SDF, SMILES, flexibase
4.07,16.18,-32.09,1,7,1, 406.51, 4

Similar to: 5076419,
8844560
 
#49

eMolecules: 12051629
Molport: MolPort-005-288-432
AKOS: AKOS001914188
Life Chemicals: F3309-1002
Mcule: MCULE-2301892194...8 total

ref: mol2, SDF, SMILES, flexibase
4.45,-1.57,-13.29,0,8,0, 434.496, 7
10103043
 
#50

eMolecules: 5736480
Molport: MolPort-003-361-093
Innovapharm: STT-00372886
Life Chemicals: F3164-0588
Mcule: MCULE-3665889343...11 total

ref: mol2, SDF, SMILES, flexibase
4.54,1.61,-12.73,0,7,0, 425.92, 3
mid: mol2, SDF, SMILES, flexibase
4.54,1.9,-31.23,1,7,1, 426.928, 3
10103041
 
#51

eMolecules: 5736478
Molport: MolPort-003-361-092
Innovapharm: STT-00372885
Life Chemicals: F3164-0587
Mcule: MCULE-9141968467...11 total

ref: mol2, SDF, SMILES, flexibase
4.50,1.56,-14.12,0,7,0, 425.92, 3
mid: mol2, SDF, SMILES, flexibase
4.50,1.88,-30.67,1,7,1, 426.928, 3

Similar to: 10103050,
5252180
 
#52

eMolecules: 5736472
Molport: MolPort-003-361-091
Innovapharm: STT-00372882
Life Chemicals: F3164-0584
Mcule: MCULE-8711348674...11 total

ref: mol2, SDF, SMILES, flexibase
4.69,2.88,-16.27,0,7,0, 419.529, 3
4945216
 
#53

eMolecules: 5736470
AKOS: AKOS000754105
Asinex: ASN13765667
Life Chemicals: F3164-0583
Mcule: MCULE-6500863420...13 total

ref: mol2, SDF, SMILES, flexibase
4.31,15.56,-14.11,0,7,0, 405.502, 3
mid: mol2, SDF, SMILES, flexibase
4.31,16.06,-31,1,7,1, 406.51, 3

Similar to: 5076418, 4945213,
4945215
 
#54

eMolecules: 5736468
AKOS: AKOS000754000
Asinex: ASN13765666
Enamine: Z247606784
Innovapharm: STT-00372881...12 total

ref: mol2, SDF, SMILES, flexibase
4.29,15.55,-14.2,0,7,0, 405.502, 3
mid: mol2, SDF, SMILES, flexibase
4.29,16.05,-31.15,1,7,1, 406.51, 3
4945214
 
#55

eMolecules: 5736466
AKOS: AKOS000753999
Asinex: ASN13765665
Life Chemicals: F3164-0581
Mcule: MCULE-6456280760...12 total

ref: mol2, SDF, SMILES, flexibase
4.27,15.79,-15.97,0,7,0, 405.502, 3
mid: mol2, SDF, SMILES, flexibase
4.27,16.29,-33.02,1,7,1, 406.51, 3
4945213
 
#56

eMolecules: 5736464
AKOS: AKOS000753892
Asinex: ASN13765664
Innovapharm: STT-00372880
Life Chemicals: F3164-0580...13 total

ref: mol2, SDF, SMILES, flexibase
3.87,14.87,-14.08,0,7,0, 391.475, 3
mid: mol2, SDF, SMILES, flexibase
3.87,15.37,-31.06,1,7,1, 392.483, 3

Similar to: 4945216, 5076417, 5076418,
4945212
 
#57

eMolecules: 5736462
AKOS: AKOS000753891
Asinex: ASN13765663
Enamine: Z237578420
Life Chemicals: F3164-0579...12 total

ref: mol2, SDF, SMILES, flexibase
3.17,13.3,-13.96,0,7,0, 355.442, 3
mid: mol2, SDF, SMILES, flexibase
3.17,13.8,-31.07,1,7,1, 356.45, 3

Similar to: 5076400,
4945211
 
#58

eMolecules: 1552126
Molport: MolPort-002-027-579
AKOS: AKOS000726625
Asinex: BAS13765661
ChemBridge: 9033700...14 total

ref: mol2, SDF, SMILES, flexibase
2.92,12.44,-13.83,0,7,0, 341.415, 3
mid: mol2, SDF, SMILES, flexibase
2.92,12.94,-31.21,1,7,1, 342.423, 3

Similar to: 5076400,
5252178
 
#59

eMolecules: 5736460
Molport: MolPort-003-361-090
Enamine: Z274616678
Innovapharm: STT-00377615
Life Chemicals: F3164-0576...10 total

ref: mol2, SDF, SMILES, flexibase
3.92,2.08,-13.55,0,7,0, 371.485, 4

Similar to: 4945210,
5252177
 
#60

eMolecules: 5736458
Molport: MolPort-003-361-089
Innovapharm: STT-00377614
Life Chemicals: F3164-0575
Mcule: MCULE-7039138991...10 total

ref: mol2, SDF, SMILES, flexibase
3.39,1.84,-13.38,0,7,0, 357.458, 3

Similar to: 5076398,
5252176
 
#61

eMolecules: 5736456
Molport: MolPort-003-361-088
Innovapharm: STT-00372877
Life Chemicals: F3164-0574
Mcule: MCULE-9103282796...10 total

ref: mol2, SDF, SMILES, flexibase
4.21,1.88,-13.57,0,7,0, 371.485, 5

Similar to: 10104222, 10104224, 4945210,
5252175
 
#62

eMolecules: 5736454
Molport: MolPort-003-361-087
Enamine: Z274616672
Innovapharm: STT-00372876
Life Chemicals: F3164-0573...10 total

ref: mol2, SDF, SMILES, flexibase
3.71,1.76,-13.63,0,7,0, 357.458, 4

Similar to: 10104222, 10104224, 4945210,
4945210
 
#63

eMolecules: 5736452
AKOS: AKOS000753774
Asinex: ASN13765656
Innovapharm: STT-00372875
Life Chemicals: F3164-0572...11 total

ref: mol2, SDF, SMILES, flexibase
3.15,12.65,-13.78,0,7,0, 343.431, 3
mid: mol2, SDF, SMILES, flexibase
3.15,13.15,-31.13,1,7,1, 344.439, 3

Similar to: 5252175, 5252176, 5252178,
4945209
 
#64

eMolecules: 5736450
AKOS: AKOS000753773
Asinex: ASN13765655
Life Chemicals: F3164-0571
Mcule: MCULE-1154297864...11 total

ref: mol2, SDF, SMILES, flexibase
2.65,11.89,-13.91,0,7,0, 329.404, 2
mid: mol2, SDF, SMILES, flexibase
2.65,12.39,-31.26,1,7,1, 330.412, 2

Similar to: 5076394,
5252174
 
#65

eMolecules: 1552124
Molport: MolPort-002-027-578
AKOS: AKOS000726624
Asinex: BAS13765654
Enamine: Z237731452...12 total

ref: mol2, SDF, SMILES, flexibase
2.27,1.29,-14.06,0,7,0, 315.377, 1

Similar to: 33585139, 33585140, 33585141, 33585142, ... 4 in total.
12419028
 
#66

eMolecules: 16868437
Molport: MolPort-005-288-431
AKOS: AKOS001914187
Life Chemicals: F3309-1000
Mcule: MCULE-4432379835...11 total

ref: mol2, SDF, SMILES, flexibase
3.05,-1.76,-14.84,0,8,0, 406.442, 5
4945207
 
#67

eMolecules: 5736446
AKOS: AKOS000753661
Asinex: ASN13765652
Life Chemicals: F3164-0568
Mcule: MCULE-5812346417...12 total

ref: mol2, SDF, SMILES, flexibase
2.41,12.51,-13.74,0,8,0, 359.43, 5
mid: mol2, SDF, SMILES, flexibase
2.41,12.98,-33.66,1,8,1, 360.438, 5

Similar to: 5076263, 5076264, 4945199,
4945206
 
#68

eMolecules: 5736444
AKOS: AKOS000753549
Asinex: ASN13765651
Enamine: Z247616120
Innovapharm: STT-00372872...12 total

ref: mol2, SDF, SMILES, flexibase
4.30,15.41,-12.11,0,7,0, 411.893, 3
mid: mol2, SDF, SMILES, flexibase
4.30,15.89,-33.71,1,7,1, 412.901, 3
20059444
 
#69

eMolecules: 2324445
AKOS: AKOS000727034
Asinex: BAS13765650
ChemBridge: 9040916
Innovapharm: STT-00372871...15 total

ref: mol2, SDF, SMILES, flexibase
1.93,10.37,-13.06,0,9,0, 400.483, 4

Similar to: 4945205,
12419025
 
#70

eMolecules: 16868435
Molport: MolPort-005-288-430
AKOS: AKOS001913636
Life Chemicals: F3309-0920
Mcule: MCULE-9218190670...11 total

ref: mol2, SDF, SMILES, flexibase
3.10,-1.84,-14.85,0,8,0, 406.442, 5
10103026
 
#71

eMolecules: 5736442
AKOS: AKOS000753548
Asinex: ASN13765648
Enamine: Z247610488
Innovapharm: STT-00372869...13 total

ref: mol2, SDF, SMILES, flexibase
3.51,3.09,-16.94,0,9,0, 435.484, 6
mid: mol2, SDF, SMILES, flexibase
3.51,3.36,-37.5,1,9,1, 436.492, 6
4945200
 
#72

eMolecules: 5736436
AKOS: AKOS000755062
Asinex: ASN13765644
Enamine: Z237731264
Innovapharm: STT-00372866...12 total

ref: mol2, SDF, SMILES, flexibase
1.59,12.1,-17.47,0,8,0, 343.387, 3
mid: mol2, SDF, SMILES, flexibase
1.59,12.58,-36.74,1,8,1, 344.395, 3
4945199
 
#73

eMolecules: 2543245
AKOS: AKOS000727003
Asinex: BAS13765643
ChemBridge: 9039928
Enamine: Z237731510...15 total

ref: mol2, SDF, SMILES, flexibase
2.03,11.54,-13.7,0,8,0, 345.403, 4
mid: mol2, SDF, SMILES, flexibase
2.03,12.02,-33.9,1,8,1, 346.411, 4

Similar to: 4945207, 5076263, 5076264,
12419023
 
#74

eMolecules: 16868433
Molport: MolPort-005-288-429
AKOS: AKOS001913323
Life Chemicals: F3309-0879
Mcule: MCULE-2239571706...11 total

ref: mol2, SDF, SMILES, flexibase
2.65,-2.16,-14.96,0,8,0, 392.415, 5

Similar to: 40165764,
4945198
 
#75

eMolecules: 5736434
AKOS: AKOS000755061
Asinex: ASN13765640
Enamine: Z247616254
Life Chemicals: F3164-0556...13 total

ref: mol2, SDF, SMILES, flexibase
4.40,16.22,-13.46,0,7,0, 403.486, 4
mid: mol2, SDF, SMILES, flexibase
4.40,16.7,-34.53,1,7,1, 404.494, 4
5252172
 
#76

eMolecules: 5736432
Molport: MolPort-003-361-086
Innovapharm: STT-00372864
Life Chemicals: F3164-0555
Mcule: MCULE-5195726770...11 total

ref: mol2, SDF, SMILES, flexibase
4.37,2.15,-13.3,0,7,0, 405.502, 5

Similar to: 5076271,
4945197
 
#77

eMolecules: 5736430
AKOS: AKOS000754949
Asinex: ASN13765638
Innovapharm: STT-00372863
Life Chemicals: F3164-0554...13 total

ref: mol2, SDF, SMILES, flexibase
3.85,15.7,-12.46,0,7,0, 391.475, 4
mid: mol2, SDF, SMILES, flexibase
3.85,16.17,-34.22,1,7,1, 392.483, 4

Similar to: 5076261, 5076281, 5076282,
4945196
 
#78

eMolecules: 5736424
AKOS: AKOS000754847
Asinex: ASN13765632
Innovapharm: STT-00372860
Life Chemicals: F3164-0548...13 total

ref: mol2, SDF, SMILES, flexibase
4.32,15.41,-11.16,0,7,0, 411.893, 3
mid: mol2, SDF, SMILES, flexibase
4.32,15.89,-33.28,1,7,1, 412.901, 3
12419021
 
#79

eMolecules: 16868431
Molport: MolPort-005-288-428
AKOS: AKOS001913222
Life Chemicals: F3309-0861
Mcule: MCULE-2614624054...8 total

ref: mol2, SDF, SMILES, flexibase
3.58,-1.72,-13.39,0,9,0, 444.447, 6

Similar to: 33011674,
4945195
 
#80

eMolecules: 5736422
AKOS: AKOS000754744
Asinex: ASN13765631
Innovapharm: STT-00372859
Life Chemicals: F3164-0547...12 total

ref: mol2, SDF, SMILES, flexibase
4.27,15.74,-13.4,0,7,0, 411.893, 3
mid: mol2, SDF, SMILES, flexibase
4.27,16.21,-35.74,1,7,1, 412.901, 3
5252171
 
#81

eMolecules: 5736416
Molport: MolPort-003-361-085
Innovapharm: STT-00372856
Life Chemicals: F3164-0544
Mcule: MCULE-5194312563...11 total

ref: mol2, SDF, SMILES, flexibase
4.47,3.06,-14.42,0,7,0, 405.502, 3
4945192
 
#82

eMolecules: 5736414
AKOS: AKOS000754642
Asinex: ASN13765627
Innovapharm: STT-00372855
Life Chemicals: F3164-0543...13 total

ref: mol2, SDF, SMILES, flexibase
4.09,15.58,-12.48,0,7,0, 391.475, 3
mid: mol2, SDF, SMILES, flexibase
4.09,16.05,-32.99,1,7,1, 392.483, 3

Similar to: 5076256, 5076258, 4945189,
8844559
 
#83

eMolecules: 12051627
Molport: MolPort-005-288-427
AKOS: AKOS001527064
Life Chemicals: F3309-0846
Mcule: MCULE-9524939420...9 total

ref: mol2, SDF, SMILES, flexibase
4.84,-1.27,-13.23,1,8,0, 429.432, 7

Similar to: 39404149,
4945191
 
#84

eMolecules: 5736412
AKOS: AKOS000754534
Asinex: ASN13765626
Enamine: Z247610578
Innovapharm: STT-00372854...12 total

ref: mol2, SDF, SMILES, flexibase
4.07,15.57,-12.53,0,7,0, 391.475, 3
mid: mol2, SDF, SMILES, flexibase
4.07,16.04,-33.12,1,7,1, 392.483, 3
4945190
 
#85

eMolecules: 5736410
AKOS: AKOS000754533
Asinex: ASN13765625
Innovapharm: STT-00372853
Life Chemicals: F3164-0541...12 total

ref: mol2, SDF, SMILES, flexibase
4.04,15.84,-14.26,0,7,0, 391.475, 3
mid: mol2, SDF, SMILES, flexibase
4.04,16.32,-35.09,1,7,1, 392.483, 3

Similar to: 5076257,
8654804
 
#86

eMolecules: 12051625
Molport: MolPort-005-288-426
AKOS: AKOS001527042
Life Chemicals: F3309-0844
Mcule: MCULE-8021340019...11 total

ref: mol2, SDF, SMILES, flexibase
5.01,7.07,-11.27,1,7,0, 415.449, 8
4945189
 
#87

eMolecules: 5736408
AKOS: AKOS000754427
Asinex: ASN13765624
Innovapharm: STT-00372852
Life Chemicals: F3164-0540...13 total

ref: mol2, SDF, SMILES, flexibase
3.64,14.89,-12.4,0,7,0, 377.448, 3
mid: mol2, SDF, SMILES, flexibase
3.64,15.37,-33.02,1,7,1, 378.456, 3

Similar to: 4945192, 5076256, 5076258,
4945188
 
#88

eMolecules: 5736406
AKOS: AKOS000754426
Asinex: ASN13765623
Enamine: Z237575526
Innovapharm: STT-00372851...12 total

ref: mol2, SDF, SMILES, flexibase
2.94,13.33,-12.14,0,7,0, 341.415, 3
mid: mol2, SDF, SMILES, flexibase
2.94,13.8,-33.1,1,7,1, 342.423, 3
4945186
 
#89

eMolecules: 2284844
AKOS: AKOS000726976
Asinex: BAS13765621
ChemBridge: 9034569
Life Chemicals: F3164-0537...13 total

ref: mol2, SDF, SMILES, flexibase
2.69,12.47,-12.18,0,7,0, 327.388, 3
mid: mol2, SDF, SMILES, flexibase
2.69,12.94,-33.35,1,7,1, 328.396, 3

Similar to: 5076252,
8614965
 
#90

eMolecules: 12051623
Molport: MolPort-005-288-425
AKOS: AKOS001888787
Life Chemicals: F3309-0843
Mcule: MCULE-5620823200...10 total

ref: mol2, SDF, SMILES, flexibase
3.72,5.98,-11.69,1,7,0, 386.411, 7
lo: mol2, SDF, SMILES, flexibase
3.72,6.45,-45.27,2,7,1, 387.419, 7
5252170
 
#91

eMolecules: 5736402
Molport: MolPort-003-361-084
Enamine: Z274616656
Innovapharm: STT-00372850
Life Chemicals: F3164-0536...10 total

ref: mol2, SDF, SMILES, flexibase
3.70,2.25,-11.85,0,7,0, 357.458, 4
5252169
 
#92

eMolecules: 5736400
Molport: MolPort-003-361-083
Enamine: Z274616654
Innovapharm: STT-00377613
Life Chemicals: F3164-0535...11 total

ref: mol2, SDF, SMILES, flexibase
3.17,1.88,-11.82,0,7,0, 343.431, 3

Similar to: 5076250,
5252168
 
#93

eMolecules: 5736398
Molport: MolPort-003-361-082
Innovapharm: STT-00372849
Life Chemicals: F3164-0534
Mcule: MCULE-5053441501...11 total

ref: mol2, SDF, SMILES, flexibase
3.99,2.06,-11.91,0,7,0, 357.458, 5

Similar to: 4945185,
5252167
 
#94

eMolecules: 5736396
Molport: MolPort-003-361-081
Enamine: Z274616650
Innovapharm: STT-00372848
Life Chemicals: F3164-0533...10 total

ref: mol2, SDF, SMILES, flexibase
3.49,1.94,-11.99,0,7,0, 343.431, 4

Similar to: 4945185,
12419019
 
#95

eMolecules: 12051621
Molport: MolPort-005-288-424
AKOS: AKOS001527020
Life Chemicals: F3309-0841
Mcule: MCULE-8693773412...9 total

ref: mol2, SDF, SMILES, flexibase
4.20,-0.13,-9.13,1,6,0, 335.363, 7
4945185
 
#96

eMolecules: 5736394
AKOS: AKOS000754315
Asinex: ASN13765616
Innovapharm: STT-00372847
Life Chemicals: F3164-0532...12 total

ref: mol2, SDF, SMILES, flexibase
2.93,12.67,-12.01,0,7,0, 329.404, 3
mid: mol2, SDF, SMILES, flexibase
2.93,13.15,-33.22,1,7,1, 330.412, 3

Similar to: 5252167, 5252168,
4945184
 
#97

eMolecules: 5736392
AKOS: AKOS000754209
Asinex: ASN13765615
Innovapharm: STT-00372846
Life Chemicals: F3164-0531...12 total

ref: mol2, SDF, SMILES, flexibase
2.42,11.91,-12.22,0,7,0, 315.377, 2
mid: mol2, SDF, SMILES, flexibase
2.42,12.39,-33.35,1,7,1, 316.385, 2

Similar to: 5076246,
4945183
 
#98

eMolecules: 2285527
AKOS: AKOS000726950
Asinex: BAS13765614
ChemBridge: 9036774
Enamine: Z237575534...15 total

ref: mol2, SDF, SMILES, flexibase
2.05,10.92,-12.28,0,7,0, 301.35, 1
mid: mol2, SDF, SMILES, flexibase
2.05,11.4,-33.77,1,7,1, 302.358, 1

Similar to: 5056459, 5056460, 5056461,
8844558
 
#99

eMolecules: 12051617
Molport: MolPort-005-288-422
AKOS: AKOS001526997
Life Chemicals: F3309-0837
Mcule: MCULE-9476902490...9 total

ref: mol2, SDF, SMILES, flexibase
5.20,-0.44,-9.45,0,6,0, 399.45, 7
10102956
 
#100

eMolecules: 5736372
Molport: MolPort-003-361-077
Innovapharm: STT-00372841
Life Chemicals: F3164-0504
Mcule: MCULE-7055648974...11 total

ref: mol2, SDF, SMILES, flexibase
4.41,3,-16.38,0,8,0, 443.507, 4
mid: mol2, SDF, SMILES, flexibase
4.41,3.24,-30.66,1,8,1, 444.515, 4

Similar to: 10102952, 10102954,

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 = 124 ) limit 0,100

Smiles were