BPH-830   Click here for help

GtoPdb Ligand ID: 3121

Synonyms: BPH 830 | BPH830
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 9
Topological polar surface area 105.67
Molecular weight 349.11
XLogP 1.36
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C(CP(=O)(O)O)NCCCc1cccc(c1)Oc1ccccc1
Isomeric SMILES O=C(CP(=O)(O)O)NCCCc1cccc(c1)Oc1ccccc1
InChI InChI=1S/C17H20NO5P/c19-17(13-24(20,21)22)18-11-5-7-14-6-4-10-16(12-14)23-15-8-2-1-3-9-15/h1-4,6,8-10,12H,5,7,11,13H2,(H,18,19)(H2,20,21,22)
InChI Key GNETVUVZFYJATO-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
[2-oxo-2-[3-(3-phenoxyphenyl)propylamino]ethyl]phosphonic acid
Synonyms Click here for help
BPH 830 | BPH830
Database Links Click here for help
ChEMBL Ligand CHEMBL1208085
GtoPdb PubChem SID 135649720
PubChem CID 44182294
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