COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL027512
Chemical Name: dimethyl2-{[(1E)-2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl]amino}benzene-1,4-dicarboxylate
Smiles: N#C/C(=C\Nc1cc(ccc1C(=O)OC)C(=O)OC)/C(=O)Nc1ccccc1

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Molecular Weight: 379.37
Empirical Formula: C20H17N3O5

Physical State: Liquid
Available Amount: 90 mg

Lipinsky:
logP: 4.01
Rotatable bonds: 5
H-donors: 2
H-acceptors: 5
PSA: 117
Number of rings: 2

     

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