CGP 47656   Click here for help

GtoPdb Ligand ID: 1066

Synonyms: CGP-47656 | CGP47656
Compound class: Synthetic organic
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
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
Click here for help
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
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
Search UniChem for chemical match using the InChIKey TXAHGWWWANKBDA-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone TXAHGWWWANKBDA