CGP 44532   Click here for help

GtoPdb Ligand ID: 1082

Synonyms: CGP-44532 | CGP44532
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 3
Topological polar surface area 93.36
Molecular weight 153.06
XLogP -1.77
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CP(=O)(CC(CN)O)O
Isomeric SMILES CP(=O)(C[C@@H](CN)O)O
InChI InChI=1S/C4H12NO3P/c1-9(7,8)3-4(6)2-5/h4,6H,2-3,5H2,1H3,(H,7,8)/t4-/m1/s1
InChI Key FUUPFUIGNBPCAY-SCSAIBSYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
[(2R)-3-amino-2-hydroxypropyl]-methylphosphinic acid
Synonyms Click here for help
CGP-44532 | CGP44532
Database Links Click here for help
CAS Registry No. 133345-68-3 (source: Scifinder)
ChEMBL Ligand CHEMBL113348
GtoPdb PubChem SID 135650069
PubChem CID 5310934
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