[3H]rolipram   Click here for help

GtoPdb Ligand ID: 5313

Synonyms: [3H]-rolipram
 Ligand is labelled  Ligand is radioactive
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 47.56
Molecular weight 275.15
XLogP 1.89
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1ccc(cc1OC1CCCC1)C1CNC(=O)C1
Isomeric SMILES COc1ccc(cc1OC1CCCC1)C1CNC(=O)C1
InChI InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)
InChI Key HJORMJIFDVBMOB-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
Synonyms Click here for help
[3H]-rolipram
Database Links Click here for help
ChEMBL Ligand CHEMBL63
GtoPdb PubChem SID 53801025
PubChem CID 5092
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Tocris
Rolipram
Cat. No. 0905