COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL508699
Chemical Name: methyl(3Z)-3-(4-methoxybenzylidene)-4-oxo-6-(phenylamino)-3,4-dihydro-2H-thiopyran-5-carboxylate
Smiles: COC(=O)C1=C(SC/C(=C\c2ccc(cc2)OC)/C1=O)Nc1ccccc1

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Molecular Weight: 381.45
Empirical Formula: C21H19NO4S

Physical State: Dry powder
Available Amount: 671 mg

Lipinsky:
logP: 4.639
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 89
Number of rings: 3

     

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