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

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71780039
 
#1

Aldrich CPR: CCA003686|ALDRICH
ref: mol2, SDF, SMILES, flexibase
2.54,5.63,-6.4,0,4,0, 236.267, 4
39082664
 
#2

Aldrich CPR: CCA003685|ALDRICH
Chemstep: 43355
PubChem: 12503304
ref: mol2, SDF, SMILES, flexibase
-2.11,7.22,-25.28,0,2,1, 169.273, 3
71779932
 
#3

Aldrich CPR: CCA003639|ALDRICH
SureChEMBL: SCHEMBL13874006
ref: mol2, SDF, SMILES, flexibase
1.65,4.93,-9.52,0,3,0, 238.088, 1
lo: mol2, SDF, SMILES, flexibase
1.65,5.19,-29.3,1,3,1, 239.096, 1
34242081
 
#4

Aldrich CPR: CCA003576|ALDRICH
PubChem: 14178391
ref: mol2, SDF, SMILES, flexibase
2.50,7.5,-11.64,0,4,0, 274.279, 1
71779625
 
#5

Aldrich CPR: CCA003451|ALDRICH
ref: mol2, SDF, SMILES, flexibase
0.42,3.31,-52.52,1,6,-1, 260.273, 3
71779624
 
#6

Aldrich CPR: CCA003451|ALDRICH
ref: mol2, SDF, SMILES, flexibase
0.42,3.02,-53.3,1,6,-1, 260.273, 3
32144121
 
#7

Aldrich CPR: CCA003426|ALDRICH
TCI: A1598
Tetrahedron Building Blocks: TS30795
Tractus: TRA0074593
PubChem: 578067...6 total

ref: mol2, SDF, SMILES, flexibase
3.90,7.95,-94.77,0,6,-2, 268.228, 4

Similar to: 32224738,
71779517
 
#8

Aldrich CPR: CCA003346|ALDRICH
PubChem: 54194209
ref: mol2, SDF, SMILES, flexibase
2.66,4.31,-5.65,2,4,0, 252.31, 5
71779516
 
#9

Aldrich CPR: CCA003346|ALDRICH
PubChem: 54194209
ref: mol2, SDF, SMILES, flexibase
2.66,4.23,-8.07,2,4,0, 252.31, 5
71779378
 
#10

Aldrich CPR: CCA003223|ALDRICH
ref: mol2, SDF, SMILES, flexibase
3.67,8.59,-11.55,1,4,0, 259.305, 5
71779377
 
#11

Aldrich CPR: CCA003223|ALDRICH
ref: mol2, SDF, SMILES, flexibase
3.67,8.56,-8.63,1,4,0, 259.305, 5
373525
 
#12

Aldrich CPR: CCA003192|ALDRICH
ChemDB: 6457387
PubChem: 614901
ref: mol2, SDF, SMILES, flexibase
2.82,7.82,-11.57,0,2,0, 227.238, 1

Similar to: 391075, 752539, 2742159, 16524378, 17074195, ... 7 in total.
71779229
 
#13

Aldrich CPR: CCA003082|ALDRICH
ref: mol2, SDF, SMILES, flexibase
4.10,7.98,-3.87,0,2,0, 239.318, 4
71779228
 
#14

Aldrich CPR: CCA003082|ALDRICH
ref: mol2, SDF, SMILES, flexibase
4.10,7.95,-3.9,0,2,0, 239.318, 4
71779193
 
#15

Aldrich CPR: CCA003050|ALDRICH
ref: mol2, SDF, SMILES, flexibase
2.95,3.86,-6.81,1,3,0, 239.702, 1
71779192
 
#16

Aldrich CPR: CCA003050|ALDRICH
ref: mol2, SDF, SMILES, flexibase
2.95,3.86,-6.81,1,3,0, 239.702, 1
71779106
 
#17

Aldrich CPR: CCA002979|ALDRICH
ref: mol2, SDF, SMILES, flexibase
1.48,2.43,-10.29,1,5,0, 236.271, 1
hi: mol2, SDF, SMILES, flexibase
1.48,3.44,-65.71,0,5,-1, 235.263, 1
71779105
 
#18

Aldrich CPR: CCA002979|ALDRICH
ref: mol2, SDF, SMILES, flexibase
1.48,2.58,-9.75,1,5,0, 236.271, 1
hi: mol2, SDF, SMILES, flexibase
1.48,3.59,-65.64,0,5,-1, 235.263, 1
71779104
 
#19

Aldrich CPR: CCA002979|ALDRICH
ref: mol2, SDF, SMILES, flexibase
1.48,2.57,-9.97,1,5,0, 236.271, 1
hi: mol2, SDF, SMILES, flexibase
1.48,3.59,-67.99,0,5,-1, 235.263, 1
71779103
 
#20

Aldrich CPR: CCA002979|ALDRICH
ref: mol2, SDF, SMILES, flexibase
1.48,2.29,-10.91,1,5,0, 236.271, 1
hi: mol2, SDF, SMILES, flexibase
1.48,3.31,-68.88,0,5,-1, 235.263, 1
71779058
 
#21

Aldrich CPR: CCA002940|ALDRICH
ref: mol2, SDF, SMILES, flexibase
0.57,3.39,-105.75,0,6,-2, 237.211, 4
lo: mol2, SDF, SMILES, flexibase
0.57,2.54,-60.24,1,6,-1, 238.219, 4
198521
 
#22

eMolecules: 802328
Molport: MolPort-002-042-353
Scientific Exchange (make on demand): POD_33/0586
Aldrich CPR: CCA002702|ALDRICH
IBScreen: STOCK1S-10464...15 total

ref: mol2, SDF, SMILES, flexibase
4.14,5.83,-7.38,2,4,0, 246.358, 3
ref: mol2, SDF, SMILES, flexibase
4.14,5.83,-6.36,2,4,0, 246.358, 3
mid: mol2, SDF, SMILES, flexibase
4.14,5.85,-5.89,2,4,0, 246.358, 3
71778753
 
#23

Aldrich CPR: CCA002653|ALDRICH
ref: mol2, SDF, SMILES, flexibase
2.39,5.71,-27.09,0,7,-1, 251.096, 3
lo: mol2, SDF, SMILES, flexibase
2.39,4.73,-8.69,1,7,0, 252.104, 3
71778751
 
#24

Aldrich CPR: CCA002651|ALDRICH
ref: mol2, SDF, SMILES, flexibase
-0.15,-1.85,-18.03,3,7,0, 238.199, 5
hi: mol2, SDF, SMILES, flexibase
0.04,-3.4,-51.11,2,7,-1, 237.191, 5
hi: mol2, SDF, SMILES, flexibase
-0.15,-0.64,-55.32,2,7,-1, 237.191, 5
71778750
 
#25

Aldrich CPR: CCA002651|ALDRICH
ref: mol2, SDF, SMILES, flexibase
-0.15,-1.85,-17.64,3,7,0, 238.199, 5
hi: mol2, SDF, SMILES, flexibase
0.04,-3.11,-50.06,2,7,-1, 237.191, 5
hi: mol2, SDF, SMILES, flexibase
-0.15,-0.64,-55.22,2,7,-1, 237.191, 5
71778749
 
#26

Aldrich CPR: CCA002650|ALDRICH
ref: mol2, SDF, SMILES, flexibase
0.16,1.82,-17.83,2,6,0, 236.227, 6
hi: mol2, SDF, SMILES, flexibase
0.34,0.27,-50.11,1,6,-1, 235.219, 6
hi: mol2, SDF, SMILES, flexibase
0.16,3.03,-54.96,1,6,-1, 235.219, 6
71778748
 
#27

Aldrich CPR: CCA002650|ALDRICH
ref: mol2, SDF, SMILES, flexibase
0.16,1.82,-17.83,2,6,0, 236.227, 6
hi: mol2, SDF, SMILES, flexibase
0.34,0.56,-49.02,1,6,-1, 235.219, 6
hi: mol2, SDF, SMILES, flexibase
0.16,3.03,-54.96,1,6,-1, 235.219, 6
71778734
 
#28

Aldrich CPR: CCA002636|ALDRICH
ref: mol2, SDF, SMILES, flexibase
1.78,8.58,-10.25,0,3,0, 265.312, 1
71778733
 
#29

Aldrich CPR: CCA002636|ALDRICH
ref: mol2, SDF, SMILES, flexibase
1.78,8.53,-8.46,0,3,0, 265.312, 1
71778732
 
#30

Aldrich CPR: CCA002636|ALDRICH
ref: mol2, SDF, SMILES, flexibase
1.78,8.53,-8.4,0,3,0, 265.312, 1
71778731
 
#31

Aldrich CPR: CCA002636|ALDRICH
ref: mol2, SDF, SMILES, flexibase
1.78,8.59,-10.2,0,3,0, 265.312, 1
71778701
 
#32

Aldrich CPR: CCA002616|ALDRICH
ref: mol2, SDF, SMILES, flexibase
3.18,6.47,-7,1,2,0, 253.273, 2
71778631
 
#33

Aldrich CPR: CCA002553|ALDRICH
ref: mol2, SDF, SMILES, flexibase
0.81,2.07,-52.16,0,6,-1, 270.286, 6
71778627
 
#34

Aldrich CPR: CCA002544|ALDRICH
Otava (Virtual): 5621415
PubChem: 53658105
SureChEMBL: SCHEMBL11687763
ref: mol2, SDF, SMILES, flexibase
2.11,6.67,-9.09,1,4,0, 235.674, 1
mid: mol2, SDF, SMILES, flexibase
2.11,7.13,-35.89,2,4,1, 236.682, 1
71778578
 
#35

Aldrich CPR: CCA002504|ALDRICH
ref: mol2, SDF, SMILES, flexibase
1.95,1.93,-28.64,3,4,1, 228.341, 3
mid: mol2, SDF, SMILES, flexibase
1.95,1.81,-9.99,2,4,0, 227.333, 3
71778555
 
#36

Aldrich CPR: CCA002480|ALDRICH
ref: mol2, SDF, SMILES, flexibase
0.21,0.91,-14.57,1,5,0, 231.133, 1
71778554
 
#37

Aldrich CPR: CCA002480|ALDRICH
ref: mol2, SDF, SMILES, flexibase
0.21,0.92,-14.51,1,5,0, 231.133, 1
71778553
 
#38

Aldrich CPR: CCA002480|ALDRICH
ref: mol2, SDF, SMILES, flexibase
0.21,0.74,-19.45,1,5,0, 231.133, 1
71778541
 
#39

Aldrich CPR: CCA002465|ALDRICH
ref: mol2, SDF, SMILES, flexibase
-0.42,-1.12,-15.38,4,5,0, 240.284, 3
71778540
 
#40

Aldrich CPR: CCA002464|ALDRICH
ref: mol2, SDF, SMILES, flexibase
-1.21,-1.48,-15.4,4,5,0, 226.257, 3
71778539
 
#41

Aldrich CPR: CCA002463|ALDRICH
PubChem: 54474145
ref: mol2, SDF, SMILES, flexibase
-1.06,-0.51,-20.96,3,6,0, 268.294, 4
1606962
 
#42

Aldrich CPR: CCA002419|ALDRICH
Leadscope via PubChem: LS-133557
17125001
 
#43

Aldrich CPR: CCA002401|ALDRICH
BindingDB.org: 123834
ChemDB: 5234051
PubChem: 331464
ref: mol2, SDF, SMILES, flexibase
1.01,2.58,-16.66,1,6,0, 269.26, 2

Similar to: 4394940, 4394941, 1573176, 1573177, 13469923, ... 5 in total.
71778417
 
#44

Aldrich CPR: CCA002346|ALDRICH
ref: mol2, SDF, SMILES, flexibase
3.09,8.28,-8.04,1,3,0, 274.291, 6
71778416
 
#45

Aldrich CPR: CCA002346|ALDRICH
PubChem: 59038118
SureChEMBL: SCHEMBL7228873
ref: mol2, SDF, SMILES, flexibase
3.09,8.28,-8.04,1,3,0, 274.291, 6
71778386
 
#46

Aldrich CPR: CCA002319|ALDRICH
ref: mol2, SDF, SMILES, flexibase
1.51,7.17,-19.73,0,5,0, 273.288, 5
71778374
 
#47

Aldrich CPR: CCA002305|ALDRICH
ref: mol2, SDF, SMILES, flexibase
2.69,5.05,-16.84,2,4,0, 259.092, 2
71778364
 
#48

Aldrich CPR: CCA002291|ALDRICH
ref: mol2, SDF, SMILES, flexibase
2.66,9.58,-18.37,0,3,0, 263.296, 3
71778285
 
#49

Aldrich CPR: CCA002228|ALDRICH
ref: mol2, SDF, SMILES, flexibase
2.59,4.23,-9.06,2,3,0, 228.654, 2
71778234
 
#50

Aldrich CPR: CCA002193|ALDRICH
ref: mol2, SDF, SMILES, flexibase
2.44,6.99,-9.78,0,6,0, 230.264, 3
71778214
 
#51

Aldrich CPR: CCA002180|ALDRICH
ref: mol2, SDF, SMILES, flexibase
1.56,8.38,-50.07,0,9,-1, 267.173, 3
71778213
 
#52

Aldrich CPR: CCA002180|ALDRICH
ref: mol2, SDF, SMILES, flexibase
1.56,8.38,-50.09,0,9,-1, 267.173, 3
71778196
 
#53

Aldrich CPR: CCA002156|ALDRICH
ref: mol2, SDF, SMILES, flexibase
3.68,7.64,-5.87,0,2,0, 238.286, 0
71778195
 
#54

Aldrich CPR: CCA002156|ALDRICH
ref: mol2, SDF, SMILES, flexibase
3.68,7.52,-5.9,0,2,0, 238.286, 0
71778194
 
#55

Aldrich CPR: CCA002156|ALDRICH
ref: mol2, SDF, SMILES, flexibase
3.68,7.52,-5.88,0,2,0, 238.286, 0
71778193
 
#56

Aldrich CPR: CCA002156|ALDRICH
ref: mol2, SDF, SMILES, flexibase
3.68,7.63,-5.88,0,2,0, 238.286, 0
71778186
 
#57

Aldrich CPR: CCA002146|ALDRICH
ref: mol2, SDF, SMILES, flexibase
-4.59,5.29,-36.87,1,4,1, 202.237, 2
71778152
 
#58

Aldrich CPR: CCA002111|ALDRICH
ref: mol2, SDF, SMILES, flexibase
2.51,4.84,-2.08,3,2,0, 237.517, 2
lo: mol2, SDF, SMILES, flexibase
2.51,4.67,-45.07,4,2,1, 238.525, 2
39216897
 
#59

Aldrich CPR: CCA002047|ALDRICH
PubChem: 12380803
ref: mol2, SDF, SMILES, flexibase
2.40,4.85,-6.57,0,5,0, 274.107, 2
71778025
 
#60

Aldrich CPR: CCA001978|ALDRICH
ref: mol2, SDF, SMILES, flexibase
1.12,2.36,-10.53,0,7,0, 256.287, 3
71778022
 
#61

Aldrich CPR: CCA001975|ALDRICH
ref: mol2, SDF, SMILES, flexibase
3.16,4.73,-10.86,0,3,0, 248.731, 3
71778014
 
#62

Aldrich CPR: CCA001966|ALDRICH
ref: mol2, SDF, SMILES, flexibase
2.69,2.54,-6.71,2,3,0, 233.098, 4
71778011
 
#63

Aldrich CPR: CCA001964|ALDRICH
SureChEMBL: SCHEMBL5955919
ref: mol2, SDF, SMILES, flexibase
4.24,10.13,-49.96,0,2,-1, 239.294, 3
71777958
 
#64

Aldrich CPR: CCA001929|ALDRICH
ref: mol2, SDF, SMILES, flexibase
-3.82,3.84,-32.47,1,2,1, 144.238, 3
33647346
 
#65

Aldrich CPR: PH001976|ALDRICH
Leadscope via PubChem: LS-121749
PubChem: 3030941
ref: mol2, SDF, SMILES, flexibase
6.33,11.92,-12.47,1,5,0, 456.538, 12
5884447
 
#66

Aldrich CPR: PH001972|ALDRICH
Otava (Virtual): 9102588
PubChem: 458851
ref: mol2, SDF, SMILES, flexibase
1.99,7.55,-24.72,2,6,0, 338.363, 6

Similar to: 26330390, 48429955,
6158940
 
#67

Aldrich CPR: R436852|ALDRICH
TimTec: ST50561519
ChemDB: 6638286
PubChem: 4289566, 6059469
ref: mol2, SDF, SMILES, flexibase
0.86,2.96,-60.22,0,6,-1, 265.241, 6

Similar to: 38421945,
5491139
 
#68

ChemMol: 1032668, 98002043, 42307183, 44002720, 30102574, 97801638
eMolecules: 631924
Molport: MolPort-022-465-568
Acorn PharmaTech: ACN-S001261
AK Scientific: V1983...65 total

ref: mol2, SDF, SMILES, flexibase
-0.02,-0.89,-55.71,1,6,-1, 155.089, 1
156381
 
#69

ChemMol: 1035191
AK Scientific: 6057AA
Aldrich CPR: R436704|ALDRICH
Alfa-Aesar: B23062
American Custom Chemicals Corp.: HCH0019193...38 total

ref: mol2, SDF, SMILES, flexibase
2.50,1.66,-46.82,0,2,-1, 199.588, 2

Similar to: 34528641, 39319932, 44221009,
57073
 
#70

AK Scientific: V3600
Aldrich CPR: R436674|ALDRICH
Alfa-Aesar: A14526
American Custom Chemicals Corp.: HCH0021257
Angene Building Blocks: AGN-PC-094J2P...38 total

ref: mol2, SDF, SMILES, flexibase
2.81,1.07,-45.27,0,2,-1, 244.039, 2

Similar to: 4977469, 39566088, 44220966,
2517106
 
#71

eMolecules: 631920
Scientific Exchange (make on demand): POD_28/0555
AKOS: AKOS003242024
Aldrich CPR: R436631|ALDRICH
Alfa-Aesar: L13122...26 total

ref: mol2, SDF, SMILES, flexibase
2.31,0.52,-45.81,0,2,-1, 183.252, 5

Similar to: 34452332, 34482820, 34520714, 38254359, 39042314, ... 10 in total.
17968769
 
#72

Amidohydrolase AH-EFI: Ammeline
Aldrich CPR: R436623|ALDRICH
Alfa-Aesar: L13064
Element Store BB: b2star-645-92-1
FineTech: FT-0622303...37 total

ref: mol2, SDF, SMILES, flexibase
-1.45,0.03,-46.45,6,6,1, 128.115, 0
hi: mol2, SDF, SMILES, flexibase
-1.45,-0.47,-15.18,5,6,0, 127.107, 0
8614696
 
#73

ChemMol: 83601996
AKOS: AKOS002845347
Aldrich CPR: S626813|ALDRICH, R436445|ALDRICH
Alfa-Aesar: L00614
American Custom Chemicals Corp.: API0010059...24 total

ref: mol2, SDF, SMILES, flexibase
-0.82,0.89,-59.63,1,4,-1, 128.107, 2

Similar to: 1590006,
1761868
 
#74

AK Scientific: 8013AC
AKOS: AKOS015833405
Aldrich CPR: R436364|ALDRICH
Alfa-Aesar: L11643
Chembo Pharma: KB-61739...25 total

ref: mol2, SDF, SMILES, flexibase
0.92,5.87,-93.49,0,9,-2, 240.127, 4

Similar to: 6484401,
157362
 
#75

ChemMol: 98001485
AK Scientific: X8191
AKOS: AKOS009157268
Aldrich CPR: R436283|ALDRICH
Alfa-Aesar: B20469...39 total

ref: mol2, SDF, SMILES, flexibase
2.11,1.12,-43.1,3,1,1, 194.151, 2
hi: mol2, SDF, SMILES, flexibase
0.98,4.75,-87.29,7,8,2, 409.469, 4
405101
 
#76

ChemMol: 30100424
Aldrich CPR: R436208|ALDRICH
Alfa-Aesar: L10212
APIChem: AC-10453
Apollo Scientific: PC4114...32 total

ref: mol2, SDF, SMILES, flexibase
0.63,2.75,-45.54,1,3,-1, 187.121, 2

Similar to: 41922807, 41922809,
405100
 
#77

ChemMol: 30100424
Aldrich CPR: R436208|ALDRICH
Alfa-Aesar: L10212
APIChem: AC-10453
Apollo Scientific: PC4114...32 total

ref: mol2, SDF, SMILES, flexibase
0.63,2.75,-45.56,1,3,-1, 187.121, 2

Similar to: 41922807, 41922809,
105302
 
#78

ChemMol: 30100796, 44015679, 1037623
eMolecules: 631893
Acros Organics: SB01884
AK Scientific: R701
AKOS: AKOS000120331...51 total

ref: mol2, SDF, SMILES, flexibase
2.56,2.51,-54.87,0,4,-1, 254.624, 2
1718596
 
#79

Acros Organics: 15490
AK Scientific: X5710
AKOS: AKOS009157581
Aldrich CPR: R436143|ALDRICH
Alfa-Aesar: A18199...27 total

ref: mol2, SDF, SMILES, flexibase
-2.46,0.54,-49.84,2,4,0, 128.131, 4

Similar to: 36722823,
406427
 
#80

ChemMol: 1031927, 30116297, 44031735, 1200544, 98001316
eMolecules: 631885
Aldrich CPR: R436089|ALDRICH
Alfa-Aesar: L08533
Angene Building Blocks: AGN-PC-0JP6IX...60 total

ref: mol2, SDF, SMILES, flexibase
2.90,0.95,-45.71,0,2,-1, 169.587, 1

Similar to: 36532846,
152630
 
#81

ChemMol: 1035192
AK Scientific: 2372AE
AKOS: AKOS000263377
Aldrich CPR: R435929|ALDRICH
Alfa-Aesar: L07468...48 total

ref: mol2, SDF, SMILES, flexibase
2.48,1.56,-53.33,0,2,-1, 199.588, 2

Similar to: 44221624,
101228
 
#82

eMolecules: 631864
Molport: MolPort-001-792-894
Aldrich CPR: R435732|ALDRICH
Alfa-Aesar: L06208
Chembo Pharma: KB-177465...20 total

ref: mol2, SDF, SMILES, flexibase
3.07,0.38,-45.8,0,2,-1, 231.296, 4

Similar to: 39647797,
105162
 
#83

ChemMol: 1037593
eMolecules: 631858
Acros Organics: SB00572
Aldrich CPR: R435643|ALDRICH
Alfa-Aesar: L05695...52 total

ref: mol2, SDF, SMILES, flexibase
3.08,1.72,-51.15,0,4,-1, 271.079, 2
145548
 
#84

eMolecules: 206844138
Molport: MolPort-004-353-783
AK Scientific: Z3534
AKOS: AKOS000200534
Aldrich CPR: R157198|ALDRICH...56 total

ref: mol2, SDF, SMILES, flexibase
2.99,0.77,-51.24,0,2,-1, 216.043, 2

Similar to: 6132387, 39378579, 39378580, 44214438, ... 4 in total.
5210551
 
#85

AK Scientific: X8071
Aldrich CPR: R435538|ALDRICH
Alfa-Aesar: L04366
Chembo Pharma: KB-166019
Indofine: CS-435...22 total

ref: mol2, SDF, SMILES, flexibase
1.44,4.28,-56.91,0,7,-1, 226.164, 4

Similar to: 32233018,
153644
 
#86

ChemMol: 1035271, 30101210, 30113368
eMolecules: 206844152
Scientific Exchange (make on demand): F-395112
AK Scientific: M972
AKOS: AKOS000145321...77 total

ref: mol2, SDF, SMILES, flexibase
1.56,4.66,-52.74,0,5,-1, 237.231, 5

Similar to: 6090442, 34430173, 38763638, 39385760, 40915331, ... 6 in total.
66066
 
#87

ChemMol: 44026629, 83603002
Acros Organics: 34595
AK Scientific: 5647AB
AKOS: AKOS000101165
Aldrich CPR: R435376|ALDRICH...88 total

ref: mol2, SDF, SMILES, flexibase
1.76,4.03,-41.19,2,2,1, 177.271, 1

Similar to: 32129553, 37009774,
156409
 
#88

Aldrich CPR: R435341|ALDRICH
FineTech: FT-0623601
Labotest: LT00454775
Mcule: MCULE-7028199246
Rare Chemicals: ALBO2380...42 total

ref: mol2, SDF, SMILES, flexibase
3.25,7.14,-43.64,0,2,-1, 238.477, 2

Similar to: 60232448,
142182
 
#89

ChemMol: 2200221, 80100235
eMolecules: 631842
Molport: MolPort-000-900-723
Scientific Exchange (make on demand): Q-000142
AK Scientific: 8988AE...58 total

ref: mol2, SDF, SMILES, flexibase
2.07,1.61,-48.07,0,3,-1, 179.195, 3
2022077
 
#90

eMolecules: 631840
Molport: MolPort-001-793-035
Aldrich CPR: R435244|ALDRICH
Alfa-Aesar: L01016
Labotest: LT03382416...24 total

ref: mol2, SDF, SMILES, flexibase
-1.21,-7.25,-47.07,1,4,-1, 186.212, 2
3875722
 
#91

AKOS: AKOS009158372
Aldrich CPR: R435163|ALDRICH
Alfa-Aesar: L00325
Bosche Scientific: N9447
Chembo Pharma: KB-72810...26 total

ref: mol2, SDF, SMILES, flexibase
0.32,3.65,-41.69,1,7,-1, 209.137, 3
5296589
 
#92

Aldrich CPR: R435155|ALDRICH
TimTec: ST51244163
ChemDB: 6638261
Individual Suppliers: KinaseBRD4_498
PubChem: 4183947...5 total

ref: mol2, SDF, SMILES, flexibase
1.72,1.56,-29.51,1,8,0, 421.49, 13

Similar to: 34626513, 39320862,
8887924
 
#93

AKOS: AKOS000735901
Aldrich CPR: R435147|ALDRICH
Asinex: ASN03451545
KeyOrganics: 5H-360S
Mcule: MCULE-2665456182...12 total

ref: mol2, SDF, SMILES, flexibase
-0.58,-2.83,-64.58,1,6,-1, 270.286, 6

Similar to: 406424,
406424
 
#94

AKOS: AKOS000735901
Aldrich CPR: R435147|ALDRICH
Asinex: ASN03451545
KeyOrganics: 5H-360S
Mcule: MCULE-2665456182...12 total

ref: mol2, SDF, SMILES, flexibase
-0.58,-2.82,-63.37,1,6,-1, 270.286, 6

Similar to: 8887924,
19911893
 
#95

Aldrich CPR: R435120|ALDRICH
TimTec: ST51244162
ChemDB: 6638259
PubChem: 4429314
ref: mol2, SDF, SMILES, flexibase
2.61,8.58,-167.86,0,8,-3, 423.473, 10
6863321
 
#96

Aldrich CPR: R435112|ALDRICH
TimTec: ST50449470
ChemDB: 6638258
PubChem: 4169904
ref: mol2, SDF, SMILES, flexibase
-0.68,-2.32,-64.76,1,8,-1, 285.257, 6
5715365
 
#97

Aldrich CPR: R435112|ALDRICH
TimTec: ST50449470
ChemDB: 6638258
PubChem: 4169904
ref: mol2, SDF, SMILES, flexibase
-0.68,-2.31,-63.79,1,8,-1, 285.257, 6

Similar to: 5013892, 4517659,
25559388
 
#98

Aldrich CPR: R435104|ALDRICH
TimTec: ST51244161
ChemDB: 6638257
PubChem: 4418653
ref: mol2, SDF, SMILES, flexibase
2.38,9.64,-12.38,1,6,0, 357.435, 5

Similar to: 19893635, 19893637,
4324932
 
#99

eMolecules: 631816
Molport: MolPort-002-900-835
Aldrich CPR: R435082|ALDRICH
Maybridge: HTS04061
TimTec: ST50449469...9 total

ref: mol2, SDF, SMILES, flexibase
-0.42,-7.12,-60.99,3,7,-1, 303.341, 6

Similar to: 5715363, 5715368, 6322219, 6508766, 6508768, ... 7 in total.
100863
 
#100

eMolecules: 631814
Molport: MolPort-001-986-899
AK Scientific: 0712AE
AKOS: AKOS000158500
Aldrich CPR: R435074|ALDRICH...24 total

ref: mol2, SDF, SMILES, flexibase
1.52,-0.84,-51.59,1,4,-1, 258.706, 5

Old detail retrieval took 2 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 = 540 ) limit 0,100

Smiles were