COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK574124
Chemical Name: (5Z)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-5-[(2E)-3-(2-methoxyphenyl)prop-2-en-1-ylidene]-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Smiles: N#CC1=C(C)/C(=C/C=C/c2ccccc2OC)/C(=O)N(C1=O)C1CCS(=O)(=O)C1

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Molecular Weight: 412.47
Empirical Formula: C21H20N2O5S

Physical State: Dry powder
Available Amount: 383 mg

Lipinsky:
logP: 0.768
Rotatable bonds: 4
H-donors: 0
H-acceptors: 5
PSA: 112
Number of rings: 3

     

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