COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK867932
Chemical Name: 4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1-ethyl-3-nitroquinolin-2(1H)-one
Smiles: COc1cc(CCNc2c([N+](=O)[O-])c(=O)n(c3c2cccc3)CC)ccc1OC

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Molecular Weight: 397.43
Empirical Formula: C21H23N3O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.543
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 96
Number of rings: 3

     

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