COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK706603
Chemical Name: (2Z)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-{1-phenyl-3-[4-(propylsulfanyl)phenyl]-1H-pyrazol-4-yl}prop-2-enamide
Smiles: CCCSc1ccc(cc1)c1nn(cc1/C=C(\C(=O)NC1CCS(=O)(=O)C1)/C#N)c1ccccc1

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Molecular Weight: 506.65
Empirical Formula: C26H26N4O3S2

Physical State: Dry powder
Available Amount: 397 mg

Lipinsky:
logP: 3.592
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 138
Number of rings: 4

     

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