COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK881253
Chemical Name: (2Z)-2-(1H-benzimidazol-2-yl)-3-{3-[4-(butylsulfanyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}prop-2-enenitrile
Smiles: CCCCSc1ccc(cc1)c1nn(cc1/C=C(\c1nc2c([nH]1)cccc2)/C#N)c1ccccc1

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Molecular Weight: 475.62
Empirical Formula: C29H25N5S

Physical State: Dry powder
Available Amount: 398 mg

Lipinsky:
logP: 8.094
Rotatable bonds: 4
H-donors: 1
H-acceptors: 0
PSA: 95
Number of rings: 5

     

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