COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK013058
Chemical Name: ethyl(5Z)-5-(3-bromobenzylidene)-2-[(2,4-dichlorophenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Smiles: CCOC(=O)C1=C(S/C(=C\c2cccc(c2)Br)/C1=O)Nc1ccc(cc1Cl)Cl

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Molecular Weight: 499.21
Empirical Formula: C20H14BrCl2NO3S

Physical State: Dry powder
Available Amount: 110 mg

Lipinsky:
logP: 7.163
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 80
Number of rings: 3

     

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