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GtoPdb Ligand ID: 8438

Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 73.58
Molecular weight 328.18
XLogP 3.78
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CCCCNC(=O)c1cc(N)ccc1Oc1ccc(cc1)OCC
Isomeric SMILES CCCCNC(=O)c1cc(N)ccc1Oc1ccc(cc1)OCC
InChI InChI=1S/C19H24N2O3/c1-3-5-12-21-19(22)17-13-14(20)6-11-18(17)24-16-9-7-15(8-10-16)23-4-2/h6-11,13H,3-5,12,20H2,1-2H3,(H,21,22)
InChI Key RDHPPQMUBJSJFR-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
5-amino-N-butyl-2-(4-ethoxyphenoxy)benzamide
Database Links
GtoPdb PubChem SID 252166648
PubChem CID 91827361
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