COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL379730
Chemical Name: 2-amino-4-{3-bromo-4-[(2-chlorobenzyl)oxy]-5-ethoxyphenyl}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Smiles: CCOc1cc(cc(c1OCc1ccccc1Cl)Br)C1C(=C(N)OC2=C1C(=O)CCC2)C#N

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Molecular Weight: 529.82
Empirical Formula: C25H22BrClN2O4

Physical State: Dry powder
Available Amount: 1235 mg

Lipinsky:
logP: 4.559
Rotatable bonds: 6
H-donors: 2
H-acceptors: 4
PSA: 94
Number of rings: 4

     

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