[3H]CPP   Click here for help

GtoPdb Ligand ID: 4082

 Ligand is labelled  Ligand is radioactive
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 4
Rotatable bonds 5
Topological polar surface area 119.91
Molecular weight 252.09
XLogP -2.22
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)C1NCCN(C1)CCCP(=O)(O)O
Isomeric SMILES OC(=O)C1NCCN(C1)CCCP(=O)(O)O
InChI InChI=1S/C8H17N2O5P/c11-8(12)7-6-10(4-2-9-7)3-1-5-16(13,14)15/h7,9H,1-6H2,(H,11,12)(H2,13,14,15)
InChI Key CUVGUPIVTLGRGI-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-(3-phosphonopropyl)piperazine-2-carboxylic acid
Database Links Click here for help
ChEMBL Ligand CHEMBL22304
GtoPdb PubChem SID 178100905
PubChem CID 1228
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Tocris
(RS)-CPP
Cat. No. 0173