AZ7188   

GtoPdb Ligand ID: 9586

Compound class: Synthetic organic
Comment: AZ1788 is a weak PAR2 antagonist. The structure was optimised to a more potent analogue, AZ8838 [1].
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 36.1
Molecular weight 262.11
XLogP 2.95
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES O=CN1c2ccccc2CC1c1c[nH]c2c1cccc2
Isomeric SMILES O=CN1c2ccccc2CC1c1c[nH]c2c1cccc2
InChI InChI=1S/C17H14N2O/c20-11-19-16-8-4-1-5-12(16)9-17(19)14-10-18-15-7-3-2-6-13(14)15/h1-8,10-11,17-18H,9H2
InChI Key GFACBUCIUAKRSV-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
2,3-dihydro-1'H-[2,3'-biindole]-1-carbaldehyde
Database Links
GtoPdb PubChem SID 340590217
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