COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL515836
Chemical Name: N-({[(2Z)-2-(3-methoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetyl)-beta-alanine
Smiles: COc1cccc(c1)/C=C/1\Oc2c(C1=O)ccc(c2)OCC(=O)NCCC(=O)O

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Molecular Weight: 397.38
Empirical Formula: C21H19NO7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.111
Rotatable bonds: 9
H-donors: 2
H-acceptors: 7
PSA: 111
Number of rings: 3

     

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