COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK003198
Chemical Name: ethyl(5Z)-2-[(3-chlorophenyl)amino]-4-oxo-5-(3,4,5-trimethoxybenzylidene)-4,5-dihydrothiophene-3-carboxylate
Smiles: CCOC(=O)C1=C(Nc2cccc(c2)Cl)S/C(=C\c2cc(OC)c(c(c2)OC)OC)/C1=O

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Molecular Weight: 475.95
Empirical Formula: C23H22ClNO6S

Physical State: Dry powder
Available Amount: 431 mg

Lipinsky:
logP: 5.439
Rotatable bonds: 5
H-donors: 1
H-acceptors: 6
PSA: 108
Number of rings: 3

     

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