COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL515051
Chemical Name: (2Z)-7-(azepanium-1-ylmethyl)-2-(1,3-benzodioxol-5-ylmethylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: O=C1/C(=C/c2ccc3c(c2)OCO3)/Oc2c1ccc(c2C[NH+]1CCCCCC1)[O-]

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Molecular Weight: 393.44
Empirical Formula: C23H23NO5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.192
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 72
Number of rings: 5

     

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