CGP37849   Click here for help

GtoPdb Ligand ID: 4154

Synonyms: CGP 37849 | CGP-37849
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 4
Topological polar surface area 130.66
Molecular weight 209.05
XLogP -4.76
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CC(=CC(C(=O)O)N)CP(=O)(O)O
Isomeric SMILES C/C(=C\C(C(=O)O)N)/CP(=O)(O)O
InChI InChI=1S/C6H12NO5P/c1-4(3-13(10,11)12)2-5(7)6(8)9/h2,5H,3,7H2,1H3,(H,8,9)(H2,10,11,12)/b4-2+
InChI Key BDYHNCZIGYIOGJ-DUXPYHPUSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(E)-2-amino-4-methyl-5-phosphonopent-3-enoic acid
Synonyms Click here for help
CGP 37849 | CGP-37849
Database Links Click here for help
CAS Registry No. 127910-31-0 (source: Scifinder)
ChEMBL Ligand CHEMBL29811
GtoPdb PubChem SID 178100975
PubChem CID 5950212
Search Google for chemical match using the InChIKey BDYHNCZIGYIOGJ-DUXPYHPUSA-N
Search Google for chemicals with the same backbone BDYHNCZIGYIOGJ
UniChem Compound Search for chemical match using the InChIKey BDYHNCZIGYIOGJ-DUXPYHPUSA-N
UniChem Connectivity Search for chemical match using the InChIKey BDYHNCZIGYIOGJ-DUXPYHPUSA-N
Wikipedia CGP-37849

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Tocris
CGP 37849
Cat. No. 1469