compound 15 [PMID: 19456099]   Click here for help

GtoPdb Ligand ID: 3120

Synonyms: compound 1j [PMID:19456099] [1]
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 4
Rotatable bonds 9
Topological polar surface area 125.9
Molecular weight 365.1
XLogP 1.36
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES ONC(=O)C(P(=O)(O)O)CCCc1cccc(c1)Oc1ccccc1
Isomeric SMILES ONC(=O)C(P(=O)(O)O)CCCc1cccc(c1)Oc1ccccc1
InChI InChI=1S/C17H20NO6P/c19-17(18-20)16(25(21,22)23)11-5-7-13-6-4-10-15(12-13)24-14-8-2-1-3-9-14/h1-4,6,8-10,12,16,20H,5,7,11H2,(H,18,19)(H2,21,22,23)
InChI Key HGDWHTASNMRJMP-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
[1-(hydroxyamino)-1-oxo-5-(3-phenoxyphenyl)pentan-2-yl]phosphonic acid
Synonyms Click here for help
compound 1j [PMID:19456099] [1]
Database Links Click here for help
ChEMBL Ligand CHEMBL1208103
GtoPdb PubChem SID 135649665
PubChem CID 44185382
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