COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK186081
Chemical Name: methyl(2-bromo-4-{(1E)-2-cyano-3-[(4-methylphenyl)amino]-3-oxoprop-1-en-1-yl}phenoxy)acetate
Smiles: N#C/C(=C\c1ccc(c(c1)Br)OCC(=O)OC)/C(=O)Nc1ccc(cc1)C

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Molecular Weight: 429.27
Empirical Formula: C20H17BrN2O4

Physical State: Dry powder
Available Amount: 150 mg

Lipinsky:
logP: 3.698
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 88
Number of rings: 2

     

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