CGP 35348   Click here for help

GtoPdb Ligand ID: 1069

Synonyms: CGP-35348 | CGP35348
PDB Ligand
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 91.59
Molecular weight 225.11
XLogP -0.52
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES NCCCP(=O)(C(OCC)OCC)O
Isomeric SMILES NCCCP(=O)(C(OCC)OCC)O
InChI InChI=1S/C8H20NO4P/c1-3-12-8(13-4-2)14(10,11)7-5-6-9/h8H,3-7,9H2,1-2H3,(H,10,11)
InChI Key QIIVUOWTHWIXFO-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-aminopropyl-(diethoxymethyl)phosphinic acid
Synonyms Click here for help
CGP-35348 | CGP35348
Database Links Click here for help
BindingDB Ligand 50033003
CAS Registry No. 123690-79-9 (source: Scifinder)
ChEMBL Ligand CHEMBL40157
GtoPdb PubChem SID 135650067
PubChem CID 107699
RCSB PDB Ligand 2BW
Search Google for chemical match using the InChIKey QIIVUOWTHWIXFO-UHFFFAOYSA-N
Search Google for chemicals with the same backbone QIIVUOWTHWIXFO
Search UniChem for chemical match using the InChIKey QIIVUOWTHWIXFO-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone QIIVUOWTHWIXFO
SynPHARM 2817 (in complex with GABAB receptor)
Wikipedia CGP-35348

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Tocris
CGP 35348
Cat. No. 1245