COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK269612
Chemical Name: 2-(3,4-dimethylphenyl)-2-oxoethyl4-[(4'-nitrobiphenyl-4-yl)amino]-4-oxobutanoate
Smiles: O=C(Nc1ccc(cc1)c1ccc(cc1)[N+](=O)[O-])CCC(=O)OCC(=O)c1ccc(c(c1)C)C

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Molecular Weight: 460.49
Empirical Formula: C26H24N2O6

Physical State: Dry powder
Available Amount: 119 mg

Lipinsky:
logP: 5.427
Rotatable bonds: 7
H-donors: 1
H-acceptors: 6
PSA: 118
Number of rings: 3

     

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