picotamide   Click here for help

GtoPdb Ligand ID: 11379

Compound class: Synthetic organic
Comment: Picotamide is a thromboxane synthase inhibitor. It inhibits platelet aggregation.
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 93.21
Molecular weight 376.15
XLogP 1.66
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES COc1ccc(cc1C(=O)NCc1cccnc1)C(=O)NCc1cccnc1
Isomeric SMILES COc1ccc(cc1C(=O)NCc1cccnc1)C(=O)NCc1cccnc1
InChI InChI=1S/C21H20N4O3/c1-28-19-7-6-17(20(26)24-13-15-4-2-8-22-11-15)10-18(19)21(27)25-14-16-5-3-9-23-12-16/h2-12H,13-14H2,1H3,(H,24,26)(H,25,27)
InChI Key KYWCWBXGRWWINE-UHFFFAOYSA-N
Download 2D Structure Click here for help
Canonical SMILES Download
Isomeric SMILES Download
InChI standard identifier Download
InChI standard key Download

Molecular structure representations generated using Open Babel