COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL378688
Chemical Name: ethyl(5Z)-5-(3-chloro-4-methoxybenzylidene)-2-{[(4-methylphenyl)carbonyl]amino}-4-oxo-4,5-dihydrothiophene-3-carboxylate
Smiles: CCOC(=O)C1=C(S/C(=C\c2ccc(c(c2)Cl)OC)/C1=O)NC(=O)c1ccc(cc1)C

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Molecular Weight: 457.93
Empirical Formula: C23H20ClNO5S

Physical State: Dry powder
Available Amount: 786 mg

Lipinsky:
logP: 4.98
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 107
Number of rings: 3

     

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