tebanicline   

GtoPdb Ligand ID: 3989

Synonyms: ABT-594 | ABT594
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 34.15
Molecular weight 198.06
XLogP 1.2
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES Clc1ccc(cn1)OCC1CCN1
Isomeric SMILES Clc1ccc(cn1)OC[C@H]1CCN1
InChI InChI=1S/C9H11ClN2O/c10-9-2-1-8(5-12-9)13-6-7-3-4-11-7/h1-2,5,7,11H,3-4,6H2/t7-/m1/s1
InChI Key MKTAGSRKQIGEBH-SSDOTTSWSA-N
Classification
Compound class Synthetic organic
IUPAC Name
5-[[(2R)-azetidin-2-yl]methoxy]-2-chloropyridine
International Nonproprietary Names
INN number INN
8143 tebanicline
Synonyms
ABT-594 | ABT594
Database Links
CAS Registry No. 198283-73-7 (source: Scifinder)
ChEMBL Ligand CHEMBL430497
GtoPdb PubChem SID 178100815
PubChem CID 3075702
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Wikipedia Tebanicline