roflupram   Click here for help

GtoPdb Ligand ID: 10691

Synonyms: FFPM | Zl-n-91
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: Roflupram is a potent phosphodiesterase 4 (PDE4) inhibitor.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 7
Topological polar surface area 44.76
Molecular weight 314.13
XLogP 3.5
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CC(CC(=O)c1ccc(c(c1)OC1COCC1)OC(F)F)C
Isomeric SMILES CC(CC(=O)c1ccc(c(c1)OC1COCC1)OC(F)F)C
InChI InChI=1S/C16H20F2O4/c1-10(2)7-13(19)11-3-4-14(22-16(17)18)15(8-11)21-12-5-6-20-9-12/h3-4,8,10,12,16H,5-7,9H2,1-2H3
InChI Key IXURVUHDDXFYDR-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1-[4-(difluoromethoxy)-3-(oxolan-3-yloxy)phenyl]-3-methylbutan-1-one
Synonyms Click here for help
FFPM | Zl-n-91
Database Links Click here for help
CAS Registry No. 1093412-18-0
GtoPdb PubChem SID 404859138
PubChem CID 25147798
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