COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK445985
Chemical Name: [2-(1,3-benzodioxol-5-yl)quinolin-4-yl]{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methanone
Smiles: O=C(c1cc(nc2c1cccc2)c1ccc2c(c1)OCO2)N1CCN(CC1)c1cccc(c1)C(F)(F)F

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Molecular Weight: 505.5
Empirical Formula: C28H22F3N3O3

Physical State: Dry powder
Available Amount: 881 mg

Lipinsky:
logP: 4.733
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 54
Number of rings: 6

     

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