COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL531877
Chemical Name: (2Z)-7-{[butyl(methyl)ammonio]methyl}-2-(3,4-dimethoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: CCCC[NH+](Cc1c([O-])ccc2c1O/C(=C\c1ccc(c(c1)OC)OC)/C2=O)C

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Molecular Weight: 397.47
Empirical Formula: C23H27NO5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.151
Rotatable bonds: 8
H-donors: 1
H-acceptors: 5
PSA: 72
Number of rings: 3

     

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