COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK706817
Chemical Name: (2Z)-2-[(4-chlorophenyl)sulfonyl]-3-{3-[4-(ethylsulfanyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}prop-2-enenitrile
Smiles: CCSc1ccc(cc1)c1nn(cc1/C=C(\S(=O)(=O)c1ccc(cc1)Cl)/C#N)c1ccccc1

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Molecular Weight: 506.05
Empirical Formula: C26H20ClN3O2S2

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 6.914
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 109
Number of rings: 4

     

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