COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK017295
Chemical Name: methyl(5Z)-5-[4-(dimethylamino)benzylidene]-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate
Smiles: COC(=O)C1=C(Nc2ccccc2)S/C(=C\c2ccc(cc2)N(C)C)/C1=O

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Molecular Weight: 380.47
Empirical Formula: C21H20N2O3S

Physical State: Dry powder
Available Amount: 274 mg

Lipinsky:
logP: 4.795
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 83
Number of rings: 3

     

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