COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL236958
Chemical Name: (2E)-3-(1,3-benzodioxol-5-yl)-1-(6-chloro-2-methyl-4-phenylquinolin-3-yl)prop-2-en-1-one
Smiles: Clc1ccc2c(c1)c(c1ccccc1)c(c(n2)C)C(=O)/C=C/c1ccc2c(c1)OCO2

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Molecular Weight: 427.89
Empirical Formula: C26H18ClNO3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.089
Rotatable bonds: 3
H-donors: 0
H-acceptors: 3
PSA: 48
Number of rings: 5

     

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