COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK001434
Chemical Name: ethyl(5Z)-5-(4-methylbenzylidene)-2-[(4-nitrophenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Smiles: CCOC(=O)C1=C(Nc2ccc(cc2)[N+](=O)[O-])S/C(=C\c2ccc(cc2)C)/C1=O

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Molecular Weight: 410.45
Empirical Formula: C21H18N2O5S

Physical State: Dry powder
Available Amount: 368 mg

Lipinsky:
logP: 5.738
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 126
Number of rings: 3

     

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