milameline   Click here for help

GtoPdb Ligand ID: 301

Compound class: Synthetic organic
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 1
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 24.83
Molecular weight 154.11
XLogP 0.77
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES CON=CC1=CCCN(C1)C
Isomeric SMILES CO/N=C/C1=CCCN(C1)C
InChI InChI=1S/C8H14N2O/c1-10-5-3-4-8(7-10)6-9-11-2/h4,6H,3,5,7H2,1-2H3/b9-6+
InChI Key YMMXHEYLRHNXAB-RMKNXTFCSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-methoxy-1-(1-methyl-5,6-dihydro-2H-pyridin-3-yl)methanimine
International Nonproprietary Names Click here for help
INN number INN
7401 milameline
Database Links Click here for help
Specialist databases
GPCRdb Ligand milameline
Other databases
BindingDB Ligand 50282491
CAS Registry No. 139886-32-1 (source: Scifinder)
ChEMBL Ligand CHEMBL151938
GtoPdb PubChem SID 135650609
PubChem CID 9571002
Search Google for chemical match using the InChIKey YMMXHEYLRHNXAB-RMKNXTFCSA-N
Search Google for chemicals with the same backbone YMMXHEYLRHNXAB
Search PubMed clinical trials milameline
Search PubMed titles milameline
Search PubMed titles/abstracts milameline
UniChem Compound Search for chemical match using the InChIKey YMMXHEYLRHNXAB-RMKNXTFCSA-N
UniChem Connectivity Search for chemical match using the InChIKey YMMXHEYLRHNXAB-RMKNXTFCSA-N
Wikipedia Milameline