COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK387810
Chemical Name: (2E)-3-{3-bromo-4-[(2-cyanobenzyl)oxy]phenyl}prop-2-enoicacid
Smiles: N#Cc1ccccc1COc1ccc(cc1Br)/C=C/C(=O)O

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Molecular Weight: 358.19
Empirical Formula: C17H12BrNO3

Physical State: Dry powder
Available Amount: 196 mg

Lipinsky:
logP: 4.082
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 70
Number of rings: 2

     

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