COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK881464
Chemical Name: (2Z)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-{3-[4-(ethylsulfanyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}prop-2-enamide
Smiles: CCSc1ccc(cc1)c1nn(cc1/C=C(\C(=O)NC1CCS(=O)(=O)C1)/C#N)c1ccccc1

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Molecular Weight: 492.62
Empirical Formula: C25H24N4O3S2

Physical State: Dry powder
Available Amount: 404 mg

Lipinsky:
logP: 3.061
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 138
Number of rings: 4

     

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