COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK706712
Chemical Name: (2Z)-3-{3-[4-(butylsulfanyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-(1-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Smiles: CCCCSc1ccc(cc1)c1nn(cc1/C=C(\c1nc2c(n1C)cccc2)/C#N)c1ccccc1

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Molecular Weight: 489.64
Empirical Formula: C30H27N5S

Physical State: Dry powder
Available Amount: 404 mg

Lipinsky:
logP: 8.214
Rotatable bonds: 5
H-donors: 0
H-acceptors: 0
PSA: 84
Number of rings: 5

     

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