COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK881144
Chemical Name: (2E)-3-{3-[4-(butylsulfanyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)prop-2-enamide
Smiles: CCCCSc1ccc(cc1)c1nn(cc1/C=C(/C(=O)NC1CCS(=O)(=O)C1)\C#N)c1ccccc1

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Molecular Weight: 520.68
Empirical Formula: C27H28N4O3S2

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 4.124
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 138
Number of rings: 4

     

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