COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK851826
Chemical Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-ethyl-3-nitroquinolin-2(1H)-one
Smiles: CCn1c(=O)c([N+](=O)[O-])c(c2c1cccc2)N1CCN(CC1)Cc1ccc2c(c1)OCO2

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Molecular Weight: 436.47
Empirical Formula: C23H24N4O5

Physical State: Dry powder
Available Amount: 324 mg

Lipinsky:
logP: 2.387
Rotatable bonds: 2
H-donors: 0
H-acceptors: 5
PSA: 91
Number of rings: 5

     

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