COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK629721
Chemical Name: (2Z)-7-{[bis(2-methylpropyl)ammonio]methyl}-2-(2,4-dimethoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: COc1cc(OC)ccc1/C=C/1\Oc2c(C1=O)ccc(c2C[NH+](CC(C)C)CC(C)C)[O-]

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Molecular Weight: 439.55
Empirical Formula: C26H33NO5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.381
Rotatable bonds: 9
H-donors: 1
H-acceptors: 5
PSA: 72
Number of rings: 3

     

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