COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK186492
Chemical Name: (2-bromo-4-{(1Z)-2-cyano-3-[(3-ethoxyphenyl)amino]-3-oxoprop-1-en-1-yl}phenoxy)aceticacid
Smiles: CCOc1cccc(c1)NC(=O)/C(=C\c1ccc(c(c1)Br)OCC(=O)O)/C#N

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Molecular Weight: 445.27
Empirical Formula: C20H17BrN2O5

Physical State: Dry powder
Available Amount: 70 mg

Lipinsky:
logP: 3.961
Rotatable bonds: 8
H-donors: 2
H-acceptors: 5
PSA: 108
Number of rings: 2

     

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