COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK516717
Chemical Name: (2Z)-2-(1H-benzimidazol-2-yl)-3-{3-[4-(ethylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}prop-2-enenitrile
Smiles: N#C/C(=C/c1cn(nc1c1ccc(cc1)S(=O)(=O)CC)c1ccccc1)/c1nc2c([nH]1)cccc2

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Molecular Weight: 479.56
Empirical Formula: C27H21N5O2S

Physical State: Dry powder
Available Amount: 104 mg

Lipinsky:
logP: 4.717
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 112
Number of rings: 5

     

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