COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK583557
Chemical Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-methyl-3-nitroquinolin-2(1H)-one
Smiles: [O-][N+](=O)c1c(N2CCN(CC2)Cc2ccc3c(c2)OCO3)c2ccccc2n(c1=O)C

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Molecular Weight: 422.44
Empirical Formula: C22H22N4O5

Physical State: Dry powder
Available Amount: 286 mg

Lipinsky:
logP: 1.856
Rotatable bonds: 1
H-donors: 0
H-acceptors: 5
PSA: 91
Number of rings: 5

     

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