COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK158449
Chemical Name: methyl(5E)-5-(3-nitrobenzylidene)-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate
Smiles: COC(=O)C1=C(Nc2ccccc2)S/C(=C/c2cccc(c2)[N+](=O)[O-])/C1=O

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Molecular Weight: 382.4
Empirical Formula: C19H14N2O5S

Physical State: Dry powder
Available Amount: 744 mg

Lipinsky:
logP: 4.189
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 126
Number of rings: 3

     

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