(±)YM796   Click here for help

GtoPdb Ligand ID: 285

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 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
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Canonical SMILES CN1CCC2(CC1)CC(=C)C(O2)C
Isomeric SMILES CN1CCC2(CC1)CC(=C)C(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
InChI Key HDTOQYUZMCNTBZ-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2,8-dimethyl-3-methylidene-1-oxa-8-azaspiro[4.5]decane
Database Links Click here for help
Specialist databases
GPCRdb Ligand (plusmn)YM796
Other databases
BindingDB Ligand 81494
ChEMBL Ligand CHEMBL1194836
GtoPdb PubChem SID 135650840
PubChem CID 177233
Search Google for chemical match using the InChIKey HDTOQYUZMCNTBZ-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey HDTOQYUZMCNTBZ-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey HDTOQYUZMCNTBZ-UHFFFAOYSA-N