(±)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
BindingDB Ligand 81494
ChEMBL Ligand CHEMBL1194836
GtoPdb PubChem SID 135650840
PubChem CID 177233
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