CGP 47656   Click here for help

GtoPdb Ligand ID: 1066

Synonyms: CGP-47656 | CGP47656
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 4
Topological polar surface area 73.13
Molecular weight 173.04
XLogP -0.25
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES NCCCP(=O)(C(F)F)O
Isomeric SMILES NCCCP(=O)(C(F)F)O
InChI InChI=1S/C4H10F2NO2P/c5-4(6)10(8,9)3-1-2-7/h4H,1-3,7H2,(H,8,9)
InChI Key TXAHGWWWANKBDA-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-aminopropyl-(difluoromethyl)phosphinic acid
Synonyms Click here for help
CGP-47656 | CGP47656
Database Links Click here for help
Specialist databases
GPCRdb Ligand CGP 47656
Other databases
BindingDB Ligand 50032968
CAS Registry No. 133345-73-0 (source: Scifinder)
ChEMBL Ligand CHEMBL113553
GtoPdb PubChem SID 135650071
PubChem CID 10154248
Search Google for chemical match using the InChIKey TXAHGWWWANKBDA-UHFFFAOYSA-N
Search Google for chemicals with the same backbone TXAHGWWWANKBDA
UniChem Compound Search for chemical match using the InChIKey TXAHGWWWANKBDA-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey TXAHGWWWANKBDA-UHFFFAOYSA-N