COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK040691
Chemical Name: ethyl(5Z)-2-[(3-chlorophenyl)amino]-5-[4-(diethylamino)benzylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Smiles: CCOC(=O)C1=C(Nc2cccc(c2)Cl)S/C(=C\c2ccc(cc2)N(CC)CC)/C1=O

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Molecular Weight: 456.99
Empirical Formula: C24H25ClN2O3S

Physical State: Dry powder
Available Amount: 440 mg

Lipinsky:
logP: 7.419
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 83
Number of rings: 3

     

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