COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK450390
Chemical Name: [2-(1,3-benzodioxol-5-yl)-7-chloro-8-methylquinolin-4-yl][4-(3,4-dichlorophenyl)piperazin-1-yl]methanone
Smiles: Clc1cc(ccc1Cl)N1CCN(CC1)C(=O)c1cc(nc2c1ccc(c2C)Cl)c1ccc2c(c1)OCO2

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Molecular Weight: 554.86
Empirical Formula: C28H22Cl3N3O3

Physical State: Dry powder
Available Amount: 422 mg

Lipinsky:
logP: 6.184
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 54
Number of rings: 6

     

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