COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK078994
Chemical Name: ethyl(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-[(4-nitrophenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Smiles: CCOC(=O)C1=C(Nc2ccc(cc2)[N+](=O)[O-])S/C(=C\c2ccc3c(c2)OCO3)/C1=O

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Molecular Weight: 440.43
Empirical Formula: C21H16N2O7S

Physical State: Dry powder
Available Amount: 333 mg

Lipinsky:
logP: 5.399
Rotatable bonds: 4
H-donors: 1
H-acceptors: 7
PSA: 144
Number of rings: 4

     

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