COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK815189
Chemical Name: (2E)-2-(1H-benzimidazol-2-yl)-3-{1-phenyl-3-[4-(piperidin-1-ylsulfonyl)phenyl]-1H-pyrazol-4-yl}prop-2-enenitrile
Smiles: N#C/C(=C\c1cn(nc1c1ccc(cc1)S(=O)(=O)N1CCCCC1)c1ccccc1)/c1nc2c([nH]1)cccc2

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Molecular Weight: 534.64
Empirical Formula: C30H26N6O2S

Physical State: Dry powder
Available Amount: 103 mg

Lipinsky:
logP: 6.038
Rotatable bonds: 1
H-donors: 1
H-acceptors: 2
PSA: 116
Number of rings: 6

     

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