COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL006838
Chemical Name: methyl2-{[(1E)-2-cyano-3-[(4-methylphenyl)amino]-1-(methylsulfanyl)-3-oxoprop-1-en-1-yl]amino}benzoate
Smiles: CS/C(=C(/C(=O)Nc1ccc(cc1)C)\C#N)/Nc1ccccc1C(=O)OC

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Molecular Weight: 381.46
Empirical Formula: C20H19N3O3S

Available Amount: 0 mg

Lipinsky:
logP: 3.595
Rotatable bonds: 4
H-donors: 2
H-acceptors: 3
PSA: 116
Number of rings: 2

     

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