COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK186496
Chemical Name: methyl(5-bromo-4-{(1Z)-2-cyano-3-[(3-ethoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-2-methoxyphenoxy)acetate
Smiles: CCOc1cccc(c1)NC(=O)/C(=C\c1cc(OC)c(cc1Br)OCC(=O)OC)/C#N

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Molecular Weight: 489.32
Empirical Formula: C22H21BrN2O6

Physical State: Dry powder
Available Amount: 153 mg

Lipinsky:
logP: 4.429
Rotatable bonds: 9
H-donors: 1
H-acceptors: 6
PSA: 106
Number of rings: 2

     

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