COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK429800
Chemical Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl][6-bromo-2-(3-methylphenyl)quinolin-4-yl]methanone
Smiles: Brc1ccc2c(c1)c(cc(n2)c1cccc(c1)C)C(=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2

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Molecular Weight: 544.45
Empirical Formula: C29H26BrN3O3

Physical State: Dry powder
Available Amount: 1794 mg

Lipinsky:
logP: 4.869
Rotatable bonds: 3
H-donors: 0
H-acceptors: 3
PSA: 54
Number of rings: 6

     

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