COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL546711
Chemical Name: methyl3-[(2Z)-6-hydroxy-2-(3-hydroxy-4-methoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-7-yl]-3-(pyridin-3-yl)propanoate
Smiles: COC(=O)CC(c1c(O)ccc2c1O/C(=C\c1ccc(c(c1)O)OC)/C2=O)c1cccnc1

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Molecular Weight: 447.44
Empirical Formula: C25H21NO7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.169
Rotatable bonds: 9
H-donors: 2
H-acceptors: 7
PSA: 115
Number of rings: 4

     

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