NAEPA   Click here for help

GtoPdb Ligand ID: 6982

Synonyms: N-acyl ethanolamide phosphate
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 20
Topological polar surface area 105.67
Molecular weight 405.26
XLogP 6.04
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
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Canonical SMILES CCCCCCCCC=CCCCCCCCC(=O)NCCOP(=O)(O)O
Isomeric SMILES CCCCCCCC/C=C/CCCCCCCC(=O)NCCOP(=O)(O)O
InChI InChI=1S/C20H40NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)21-18-19-26-27(23,24)25/h9-10H,2-8,11-19H2,1H3,(H,21,22)(H2,23,24,25)/b10-9+
InChI Key BCSUWOZFWWBYSX-MDZDMXLPSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-[[(E)-octadec-9-enoyl]amino]ethyl dihydrogen phosphate
Synonyms Click here for help
N-acyl ethanolamide phosphate
Database Links Click here for help
CAS Registry No. 24435-25-4 (source: Scifinder)
ChEMBL Ligand CHEMBL1574292
GtoPdb PubChem SID 178103561
PubChem CID 17757220
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