COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK081782
Chemical Name: ethyl(5Z)-2-[(4-nitrophenyl)amino]-4-oxo-5-(2,4,5-trimethoxybenzylidene)-4,5-dihydrothiophene-3-carboxylate
Smiles: CCOC(=O)C1=C(Nc2ccc(cc2)[N+](=O)[O-])S/C(=C\c2cc(OC)c(cc2OC)OC)/C1=O

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Molecular Weight: 486.5
Empirical Formula: C23H22N2O8S

Physical State: Dry powder
Available Amount: 66 mg

Lipinsky:
logP: 5.041
Rotatable bonds: 7
H-donors: 1
H-acceptors: 8
PSA: 154
Number of rings: 3

     

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