ropinirole   

GtoPdb Ligand ID: 7295

Synonyms: Requip® | SK&F-101468-A | SK&F-101468A
ropinirole is an approved drug (FDA (1997), EMA (2006))
Compound class: Synthetic organic
Comment: Ropinirole is a dopamine agonist. This drug is active at the dopamine-D2 and -D3 receptor subtypes, both centrally and peripherally.
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2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 35.83
Molecular weight 260.19
XLogP 2.56
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CCCN(CCC)CCc1cccc2c1CC(=N2)O
Isomeric SMILES CCCN(CCC)CCc1cccc2c1CC(=N2)O
InChI InChI=1S/C16H24N2O/c1-3-9-18(10-4-2)11-8-13-6-5-7-15-14(13)12-16(19)17-15/h5-7H,3-4,8-12H2,1-2H3,(H,17,19)
InChI Key UHSKFQJFRQCDBE-UHFFFAOYSA-N
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Molecular structure representations generated using Open Babel