CGP 46381   

GtoPdb Ligand ID: 1086

Synonyms: CGP-46381 | CGP46381
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 73.13
Molecular weight 219.14
XLogP 1.64
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES NCCCP(=O)(CC1CCCCC1)O
Isomeric SMILES NCCCP(=O)(CC1CCCCC1)O
InChI InChI=1S/C10H22NO2P/c11-7-4-8-14(12,13)9-10-5-2-1-3-6-10/h10H,1-9,11H2,(H,12,13)
InChI Key XOESDNIUAWGCLU-UHFFFAOYSA-N
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Isomeric SMILES Download
InChI standard identifier Download
InChI standard key Download

Molecular structure representations generated using Open Babel