COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK045312
Chemical Name: ethyl(5Z)-2-[(3-chlorophenyl)amino]-5-(3-hydroxy-4-methoxybenzylidene)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Smiles: CCOC(=O)C1=C(Nc2cccc(c2)Cl)S/C(=C\c2ccc(c(c2)O)OC)/C1=O

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Molecular Weight: 431.9
Empirical Formula: C21H18ClNO5S

Physical State: Dry powder
Available Amount: 127 mg

Lipinsky:
logP: 4.998
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 110
Number of rings: 3

     

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