COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK902280
Chemical Name: (2E)-1-(1,3-benzodioxol-5-yl)-3-[(2-bromophenyl)amino]prop-2-en-1-one
Smiles: O=C(c1ccc2c(c1)OCO2)/C=C/Nc1ccccc1Br

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Molecular Weight: 346.18
Empirical Formula: C16H12BrNO3

Physical State: Dry powder
Available Amount: 52 mg

Lipinsky:
logP: 3.01
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 47
Number of rings: 3

     

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