COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL416834
Chemical Name: ethyl(5Z)-5-{[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene}-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate
Smiles: CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2ccc(o2)c2ccc(cc2Cl)[N+](=O)[O-])/C1=O

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Molecular Weight: 496.93
Empirical Formula: C24H17ClN2O6S

Physical State: Dry powder
Available Amount: 201 mg

Lipinsky:
logP: 6.418
Rotatable bonds: 5
H-donors: 1
H-acceptors: 6
PSA: 139
Number of rings: 4

     

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