YD-3   Click here for help

GtoPdb Ligand ID: 9458

Compound class: Synthetic organic
Comment: YD-3 is a selective PAR4 antagonist [2].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 6
Topological polar surface area 44.12
Molecular weight 356.15
XLogP 5.88
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES CCOC(=O)c1ccc(cc1)c1nn(c2c1cccc2)Cc1ccccc1
Isomeric SMILES CCOC(=O)c1ccc(cc1)c1nn(c2c1cccc2)Cc1ccccc1
InChI InChI=1S/C23H20N2O2/c1-2-27-23(26)19-14-12-18(13-15-19)22-20-10-6-7-11-21(20)25(24-22)16-17-8-4-3-5-9-17/h3-15H,2,16H2,1H3
InChI Key LPROLPQTWKDPNU-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Database Links Click here for help
BindingDB Ligand 50024254
ChEMBL Ligand CHEMBL125021
GtoPdb PubChem SID 329968398
PubChem CID 10132921
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