COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK617599
Chemical Name: (2Z)-7-{[benzyl(methyl)ammonio]methyl}-2-(2,5-dimethoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: COc1ccc(c(c1)/C=C/1\Oc2c(C1=O)ccc(c2C[NH+](Cc1ccccc1)C)[O-])OC

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Molecular Weight: 431.49
Empirical Formula: C26H25NO5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.629
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 72
Number of rings: 4

     

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