COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK855991
Chemical Name: (2Z)-7-(azepanium-1-ylmethyl)-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+]1CCCCCC1)[O-]

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Molecular Weight: 409.48
Empirical Formula: C24H27NO5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.901
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 72
Number of rings: 4

     

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