COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK179440
Chemical Name: [4-{(1E)-3-[(3-bromophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2-ethoxy-6-(prop-2-en-1-yl)phenoxy]aceticacid
Smiles: CCOc1cc(/C=C(/C(=O)Nc2cccc(c2)Br)\C#N)cc(c1OCC(=O)O)CC=C

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Molecular Weight: 485.33
Empirical Formula: C23H21BrN2O5

Physical State: Dry powder
Available Amount: 350 mg

Lipinsky:
logP: 5.175
Rotatable bonds: 10
H-donors: 2
H-acceptors: 5
PSA: 108
Number of rings: 2

     

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