COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL516718
Chemical Name: N-({[(2E)-2-(2,5-dimethoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetyl)-beta-alanine
Smiles: COc1ccc(cc1/C=C\1/Oc2c(C1=O)ccc(c2)OCC(=O)NCCC(=O)O)OC

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Molecular Weight: 427.41
Empirical Formula: C22H21NO8

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.166
Rotatable bonds: 10
H-donors: 2
H-acceptors: 8
PSA: 120
Number of rings: 3

     

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