COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK433080
Chemical Name: [2-(1,3-benzodioxol-5-yl)quinolin-4-yl][4-(4-nitrophenyl)piperazin-1-yl]methanone
Smiles: O=C(c1cc(nc2c1cccc2)c1ccc2c(c1)OCO2)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 482.5
Empirical Formula: C27H22N4O5

Physical State: Dry powder
Available Amount: 490 mg

Lipinsky:
logP: 3.861
Rotatable bonds: 2
H-donors: 0
H-acceptors: 5
PSA: 100
Number of rings: 6

     

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