COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK092292
Chemical Name: ethyl(5E)-5-(2-chlorobenzylidene)-2-[(4-methoxyphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Smiles: CCOC(=O)C1=C(Nc2ccc(cc2)OC)S/C(=C/c2ccccc2Cl)/C1=O

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Molecular Weight: 415.9
Empirical Formula: C21H18ClNO4S

Physical State: Dry powder
Available Amount: 260 mg

Lipinsky:
logP: 5.148
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 89
Number of rings: 3

     

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