COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK042052
Chemical Name: ethyl(5Z)-2-[(4-nitrophenyl)amino]-4-oxo-5-(pyridin-3-ylmethylidene)-4,5-dihydrothiophene-3-carboxylate
Smiles: CCOC(=O)C1=C(Nc2ccc(cc2)[N+](=O)[O-])S/C(=C\c2cccnc2)/C1=O

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Molecular Weight: 397.41
Empirical Formula: C19H15N3O5S

Physical State: Dry powder
Available Amount: 470 mg

Lipinsky:
logP: 4.036
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 139
Number of rings: 3

     

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