COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL544418
Chemical Name: 3-(4-hydroxy-3,5-dimethoxyphenyl)-3-[(2E)-6-hydroxy-3-oxo-2-(pyridin-3-ylmethylidene)-2,3-dihydro-1-benzofuran-7-yl]propanoicacid
Smiles: COc1cc(cc(c1O)OC)C(c1c(O)ccc2c1O/C(=C/c1cccnc1)/C2=O)CC(=O)O

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Molecular Weight: 463.44
Empirical Formula: C25H21NO8

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 1.447
Rotatable bonds: 9
H-donors: 3
H-acceptors: 8
PSA: 135
Number of rings: 4

     

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