CGP 36742   Click here for help

GtoPdb Ligand ID: 1085

Synonyms: CGP-36742 | CGP36742
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 73.13
Molecular weight 179.11
XLogP 0.55
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCCCP(=O)(CCCN)O
Isomeric SMILES CCCCP(=O)(CCCN)O
InChI InChI=1S/C7H18NO2P/c1-2-3-6-11(9,10)7-4-5-8/h2-8H2,1H3,(H,9,10)
InChI Key ONNMDRQRSGKZCN-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-aminopropyl-butylphosphinic acid
Synonyms Click here for help
CGP-36742 | CGP36742
Database Links Click here for help
BindingDB Ligand 50032982
ChEMBL Ligand CHEMBL112797
GtoPdb PubChem SID 135650068
PubChem CID 130021
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