COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK881047
Chemical Name: (2Z)-2-(1H-benzimidazol-2-yl)-3-{1-phenyl-3-[4-(propylsulfanyl)phenyl]-1H-pyrazol-4-yl}prop-2-enenitrile
Smiles: CCCSc1ccc(cc1)c1nn(cc1/C=C(\c1nc2c([nH]1)cccc2)/C#N)c1ccccc1

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Molecular Weight: 461.59
Empirical Formula: C28H23N5S

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 7.562
Rotatable bonds: 3
H-donors: 1
H-acceptors: 0
PSA: 95
Number of rings: 5

     

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