COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL529810
Chemical Name: (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-7-{[benzyl(methyl)ammonio]methyl}-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: C[NH+](Cc1c([O-])ccc2c1O/C(=C\c1ccc3c(c1)OCO3)/C2=O)Cc1ccccc1

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Molecular Weight: 415.45
Empirical Formula: C25H21NO5

Physical State: Dry powder
Available Amount: 303 mg

Lipinsky:
logP: 4.72
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 72
Number of rings: 5

     

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