(-)-YM796   Click here for help

GtoPdb Ligand ID: 287

Compound class: Synthetic organic
Comment: Note that this compound is represented in ChEMBL without specification of stereochemistry by CHEMBL1194836.
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 0
Topological polar surface area 12.47
Molecular weight 181.15
XLogP 1.02
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES CN1CCC2(CC1)CC(=C)C(O2)C
Isomeric SMILES CN1CCC2(CC1)CC(=C)[C@H](O2)C
InChI InChI=1S/C11H19NO/c1-9-8-11(13-10(9)2)4-6-12(3)7-5-11/h10H,1,4-8H2,2-3H3/t10-/m1/s1
InChI Key HDTOQYUZMCNTBZ-SNVBAGLBSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(2R)-2,8-dimethyl-3-methylidene-1-oxa-8-azaspiro[4.5]decane
Database Links Click here for help
BindingDB Ligand 81496
GtoPdb PubChem SID 135651351
PubChem CID 10313386
Search Google for chemical match using the InChIKey HDTOQYUZMCNTBZ-SNVBAGLBSA-N
Search Google for chemicals with the same backbone HDTOQYUZMCNTBZ
Search UniChem for chemical match using the InChIKey HDTOQYUZMCNTBZ-SNVBAGLBSA-N
Search UniChem for chemicals with the same backbone HDTOQYUZMCNTBZ