DPO-1   Click here for help

GtoPdb Ligand ID: 11207

Synonyms: diphenyl phosphine oxide-1 | DPO1
Compound class: Synthetic organic
Comment: DPO-1 is a Kv1.5 channel blocker [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 26.88
Molecular weight 340.2
XLogP 7.13
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES C[C@@H]1CC[C@H]([C@H](C1)P(=O)(c1ccccc1)c1ccccc1)C(C)C
Isomeric SMILES C[C@@H]1CC[C@H]([C@H](C1)P(=O)(c1ccccc1)c1ccccc1)C(C)C
InChI InChI=1S/C22H29OP/c1-17(2)21-15-14-18(3)16-22(21)24(23,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,17-18,21-22H,14-16H2,1-3H3/t18-,21+,22+/m1/s1
InChI Key BPCNGVCAHAIZEE-COPCDDAFSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
[[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-phenylphosphoryl]benzene
Synonyms Click here for help
diphenyl phosphine oxide-1 | DPO1
Database Links Click here for help
BindingDB Ligand 50315563
CAS Registry No. 43077-30-1 (source: PubChem)
ChEBI CHEBI:93748
ChEMBL Ligand CHEMBL1088844
GtoPdb PubChem SID 434122267
PubChem CID 21678144
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