COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK446194
Chemical Name: [2-(3,4-dimethylphenyl)-8-methylquinolin-4-yl][4-(4-nitrophenyl)piperazin-1-yl]methanone
Smiles: O=C(c1cc(nc2c1cccc2C)c1ccc(c(c1)C)C)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 480.57
Empirical Formula: C29H28N4O3

Physical State: Dry powder
Available Amount: 894 mg

Lipinsky:
logP: 5.379
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 82
Number of rings: 5

     

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