COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL134872
Chemical Name: methyl2-{[(1E)-3-[(4-chlorobenzyl)amino]-2-cyano-1-(methylsulfanyl)-3-oxoprop-1-en-1-yl]amino}benzoate
Smiles: CS/C(=C(/C(=O)NCc1ccc(cc1)Cl)\C#N)/Nc1ccccc1C(=O)OC

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Molecular Weight: 415.9
Empirical Formula: C20H18ClN3O3S

Physical State: Dry powder
Available Amount: 468 mg

Lipinsky:
logP: 3.443
Rotatable bonds: 5
H-donors: 2
H-acceptors: 3
PSA: 116
Number of rings: 2

     

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