A-85380   Click here for help

GtoPdb Ligand ID: 5460

Synonyms: A 85380 | A85380
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 34.15
Molecular weight 164.09
XLogP 0.48
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES C1CC(N1)COc1cccnc1
Isomeric SMILES C1C[C@H](N1)COc1cccnc1
InChI InChI=1S/C9H12N2O/c1-2-9(6-10-4-1)12-7-8-3-5-11-8/h1-2,4,6,8,11H,3,5,7H2/t8-/m0/s1
InChI Key XKFMBGWHHBCWCD-QMMMGPOBSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-[(2S)-azetidin-2-ylmethoxy]pyridine
Synonyms Click here for help
A 85380 | A85380
Database Links Click here for help
CAS Registry No. 161416-98-4
ChEMBL Ligand CHEMBL59986
GtoPdb PubChem SID 178102110
PubChem CID 5310969
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