COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK158485
Chemical Name: ethyl(5Z)-2-[(3-chlorophenyl)amino]-5-(4-hydroxy-3,5-dimethoxybenzylidene)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Smiles: CCOC(=O)C1=C(Nc2cccc(c2)Cl)S/C(=C\c2cc(OC)c(c(c2)OC)O)/C1=O

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Molecular Weight: 461.92
Empirical Formula: C22H20ClNO6S

Physical State: Dry powder
Available Amount: 146 mg

Lipinsky:
logP: 4.723
Rotatable bonds: 6
H-donors: 2
H-acceptors: 6
PSA: 119
Number of rings: 3

     

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