COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK158502
Chemical Name: methyl(5Z)-2-[(3,4-dichlorophenyl)amino]-5-(4-fluorobenzylidene)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Smiles: COC(=O)C1=C(Nc2ccc(c(c2)Cl)Cl)S/C(=C\c2ccc(cc2)F)/C1=O

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Molecular Weight: 424.28
Empirical Formula: C19H12Cl2FNO3S

Physical State: Dry powder
Available Amount: 602 mg

Lipinsky:
logP: 6.192
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 80
Number of rings: 3

     

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