COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK816240
Chemical Name: (2E)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-[3-(4-methoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enamide
Smiles: N#C/C(=C\c1cn(nc1c1ccc(cc1C)OC)c1ccccc1)/C(=O)NC1CCS(=O)(=O)C1

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Molecular Weight: 476.56
Empirical Formula: C25H24N4O4S

Physical State: Dry powder
Available Amount: 397 mg

Lipinsky:
logP: 2.319
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 122
Number of rings: 4

     

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