COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK068058
Chemical Name: ethyl(5E)-5-[4-(dimethylamino)benzylidene]-2-[(4-fluorophenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Smiles: CCOC(=O)C1=C(Nc2ccc(cc2)F)S/C(=C/c2ccc(cc2)N(C)C)/C1=O

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Molecular Weight: 412.48
Empirical Formula: C22H21FN2O3S

Physical State: Dry powder
Available Amount: 492 mg

Lipinsky:
logP: 5.773
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 83
Number of rings: 3

     

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