COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL042046
Chemical Name: (2Z)-6-[(4-nitrobenzyl)oxy]-2-(2,3,4-trimethoxybenzylidene)-1-benzofuran-3(2H)-one
Smiles: COc1ccc(c(c1OC)OC)/C=C/1\Oc2c(C1=O)ccc(c2)OCc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 463.44
Empirical Formula: C25H21NO8

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.447
Rotatable bonds: 6
H-donors: 0
H-acceptors: 8
PSA: 109
Number of rings: 4

     

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