VU0405601   Click here for help

GtoPdb Ligand ID: 7662

Synonyms: VU 0405601 | VU-0405601
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 51.22
Molecular weight 356.02
XLogP 3.49
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C(Nc1cccnc1)COc1ccc2c(c1Br)cccc2
Isomeric SMILES O=C(Nc1cccnc1)COc1ccc2c(c1Br)cccc2
InChI InChI=1S/C17H13BrN2O2/c18-17-14-6-2-1-4-12(14)7-8-15(17)22-11-16(21)20-13-5-3-9-19-10-13/h1-10H,11H2,(H,20,21)
InChI Key WLLRAGBPCSOJNH-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-(1-bromonaphthalen-2-yl)oxy-N-pyridin-3-ylacetamide
Synonyms Click here for help
VU 0405601 | VU-0405601
Database Links Click here for help
CAS Registry No. 712325-30-9 (source: Scifinder)
ChEMBL Ligand CHEMBL1418045
GtoPdb PubChem SID 223365997
PubChem CID 1301094
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