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GtoPdb Ligand ID: 1080

Synonyms: CGP 35024 | CGP35024 | SK&F 97541 | SKF 97541 | SKF-97,541
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 3
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 73.13
Molecular weight 137.06
XLogP -0.74
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES NCCCP(=O)(O)C
Isomeric SMILES NCCCP(=O)(O)C
InChI InChI=1S/C4H12NO2P/c1-8(6,7)4-2-3-5/h2-5H2,1H3,(H,6,7)
InChI Key NHVRIDDXGZPJTJ-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-aminopropyl-methylphosphinic acid
Synonyms Click here for help
CGP 35024 | CGP35024 | SK&F 97541 | SKF 97541 | SKF-97,541
Database Links Click here for help
BindingDB Ligand 24185
CAS Registry No. 127729-35-5 (source: Scifinder)
ChEMBL Ligand CHEMBL112710
GtoPdb PubChem SID 135649731
PubChem CID 5230
RCSB PDB Ligand QD7
Search Google for chemical match using the InChIKey NHVRIDDXGZPJTJ-UHFFFAOYSA-N
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Search UniChem for chemical match using the InChIKey NHVRIDDXGZPJTJ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone NHVRIDDXGZPJTJ
Wikipedia SKF-97,541

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Tocris
SKF 97541
Cat. No. 0379