ticlopidine   

GtoPdb Ligand ID: 7307

Synonyms: 4-C-32 | 53-32C | Ticlid®
ticlopidine is an approved drug (FDA (1991))
Compound class: Synthetic organic
Comment: Ticlopidine is an antiplatelet drug. This compound is believed to be a prodrug, although the exact form of the active metabolite remains elusive.
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2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 31.48
Molecular weight 263.05
XLogP 3.16
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES Clc1ccccc1CN1CCc2c(C1)ccs2
Isomeric SMILES Clc1ccccc1CN1CCc2c(C1)ccs2
InChI InChI=1S/C14H14ClNS/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14/h1-4,6,8H,5,7,9-10H2
InChI Key PHWBOXQYWZNQIN-UHFFFAOYSA-N
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Molecular structure representations generated using Open Babel