COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK455077
Chemical Name: (2E)-3-[3-(4-chlorophenyl)-1H-pyrazol-4-yl]-2-(phenylsulfonyl)prop-2-enenitrile
Smiles: N#C/C(=C\c1c[nH]nc1c1ccc(cc1)Cl)/S(=O)(=O)c1ccccc1

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Molecular Weight: 369.83
Empirical Formula: C18H12ClN3O2S

Physical State: Dry powder
Available Amount: 32 mg

Lipinsky:
logP: 3.561
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 94
Number of rings: 3

     

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