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GtoPdb Ligand ID: 4155

Synonyms: CGS-19755 | CGS19755
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 4
Rotatable bonds 3
Topological polar surface area 116.67
Molecular weight 223.06
XLogP -1.48
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)C1NCCC(C1)CP(=O)(O)O
Isomeric SMILES OC(=O)[C@H]1NCC[C@H](C1)CP(=O)(O)O
InChI InChI=1S/C7H14NO5P/c9-7(10)6-3-5(1-2-8-6)4-14(11,12)13/h5-6,8H,1-4H2,(H,9,10)(H2,11,12,13)/t5-,6+/m1/s1
InChI Key LPMRCCNDNGONCD-RITPCOANSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(2S,4R)-4-(phosphonomethyl)piperidine-2-carboxylic acid
International Nonproprietary Names Click here for help
INN number INN
6843 selfotel
Synonyms Click here for help
CGS-19755 | CGS19755
Database Links Click here for help
CAS Registry No. 110347-85-8 (source: Scifinder)
ChEMBL Ligand CHEMBL39664
GtoPdb PubChem SID 178100976
PubChem CID 68736
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Wikipedia Selfotel