(R)-Ro65-6570   Click here for help

GtoPdb Ligand ID: 8864

Synonyms: (R)-Ro 65-6570
Compound class: Synthetic organic
Comment: NOP receptor agonist.
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 4
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 35.58
Molecular weight 383.2
XLogP 4.52
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES O=C1NCN(C21CCN(CC2)C1Cc2c3c1cccc3ccc2)c1ccccc1
Isomeric SMILES O=C1NCN(C21CCN(CC2)[C@@H]1Cc2c3c1cccc3ccc2)c1ccccc1
InChI InChI=1S/C25H25N3O/c29-24-25(28(17-26-24)20-9-2-1-3-10-20)12-14-27(15-13-25)22-16-19-8-4-6-18-7-5-11-21(22)23(18)19/h1-11,22H,12-17H2,(H,26,29)/t22-/m1/s1
InChI Key BBOAHBVXCYBKLC-JOCHJYFZSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
8-[(1R)-1,2-dihydroacenaphthylen-1-yl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Synonyms Click here for help
(R)-Ro 65-6570
Database Links Click here for help
ChEMBL Ligand CHEMBL355202
GtoPdb PubChem SID 252827521
PubChem CID 15512229
Search Google for chemical match using the InChIKey BBOAHBVXCYBKLC-JOCHJYFZSA-N
Search Google for chemicals with the same backbone BBOAHBVXCYBKLC
Search UniChem for chemical match using the InChIKey BBOAHBVXCYBKLC-JOCHJYFZSA-N
Search UniChem for chemicals with the same backbone BBOAHBVXCYBKLC