COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK538059
Chemical Name: 3-[(2E)-3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoyl]-6-chloro-4-phenylquinolin-2(1H)-one
Smiles: Clc1ccc2c(c1)c(c1ccccc1)c(c(=O)[nH]2)C(=O)/C=C/c1cc2OCOc2cc1Br

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Molecular Weight: 508.76
Empirical Formula: C25H15BrClNO4

Physical State: Dry powder
Available Amount: 315 mg

Lipinsky:
logP: 6.976
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 64
Number of rings: 5

     

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