COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK460574
Chemical Name: (2E)-3-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)-2-(phenylsulfonyl)prop-2-enenitrile
Smiles: N#C/C(=C\c1c(C)nn(c1C)c1ccccc1)/S(=O)(=O)c1ccccc1

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Molecular Weight: 363.44
Empirical Formula: C20H17N3O2S

Physical State: Dry powder
Available Amount: 87 mg

Lipinsky:
logP: 3.802
Rotatable bonds: 2
H-donors: 0
H-acceptors: 2
PSA: 84
Number of rings: 3

     

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