cilostazol   

GtoPdb Ligand ID: 7148

Synonyms: OPC-13013 | OPC-21 | Pletal®
cilostazol is an approved drug (FDA (1999))
Compound class: Synthetic organic
Comment: Cilostazol is a quinolinone-derivative phosphodiesterase (PDE) inhibitor.
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2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 81.93
Molecular weight 369.22
XLogP 3.48
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES O=C1CCc2c(N1)ccc(c2)OCCCCc1nnnn1C1CCCCC1
Isomeric SMILES O=C1CCc2c(N1)ccc(c2)OCCCCc1nnnn1C1CCCCC1
InChI InChI=1S/C20H27N5O2/c26-20-12-9-15-14-17(10-11-18(15)21-20)27-13-5-4-8-19-22-23-24-25(19)16-6-2-1-3-7-16/h10-11,14,16H,1-9,12-13H2,(H,21,26)
InChI Key RRGUKTPIGVIEKM-UHFFFAOYSA-N
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InChI standard key Download

Molecular structure representations generated using Open Babel