COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK480995
Chemical Name: [6-bromo-2-(3-ethoxyphenyl)quinolin-4-yl][4-(4-tert-butylbenzyl)piperazin-1-yl]methanone
Smiles: CCOc1cccc(c1)c1nc2ccc(cc2c(c1)C(=O)N1CCN(CC1)Cc1ccc(cc1)C(C)(C)C)Br

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Molecular Weight: 586.57
Empirical Formula: C33H36BrN3O2

Physical State: Dry powder
Available Amount: 215 mg

Lipinsky:
logP: 6.532
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 45
Number of rings: 5

     

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