COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK593390
Chemical Name: (5E)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-5-[(1,3-diphenyl-1H-pyrazol-4-yl)methylidene]-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Smiles: N#CC1=C(C)/C(=C\c2cn(nc2c2ccccc2)c2ccccc2)/C(=O)N(C1=O)C1CCS(=O)(=O)C1

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Molecular Weight: 498.56
Empirical Formula: C27H22N4O4S

Physical State: Dry powder
Available Amount: 405 mg

Lipinsky:
logP: 3.023
Rotatable bonds: 2
H-donors: 0
H-acceptors: 4
PSA: 121
Number of rings: 5

     

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