COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK158388
Chemical Name: ethyl(5Z)-5-(3,4-dimethoxybenzylidene)-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(c(c2)OC)OC)/C1=O

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Molecular Weight: 456.48
Empirical Formula: C22H20N2O7S

Physical State: Dry powder
Available Amount: 180 mg

Lipinsky:
logP: 5.105
Rotatable bonds: 6
H-donors: 1
H-acceptors: 7
PSA: 144
Number of rings: 3

     

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