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GtoPdb Ligand ID: 301

Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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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
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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
BindingDB Ligand 50282491
CAS Registry No. 139886-32-1 (source: Scifinder)
ChEMBL Ligand CHEMBL151938
GtoPdb PubChem SID 135650609
PubChem CID 9571002
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