COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL518017
Chemical Name: N-({[(2Z)-2-(2,3-dimethoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetyl)-beta-alanine
Smiles: COc1c(cccc1OC)/C=C/1\Oc2c(C1=O)ccc(c2)OCC(=O)NCCC(=O)O

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Molecular Weight: 427.41
Empirical Formula: C22H21NO8

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 2.022
Rotatable bonds: 10
H-donors: 2
H-acceptors: 8
PSA: 120
Number of rings: 3

     

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