compound 4b [PMID: 16099654]   Click here for help

GtoPdb Ligand ID: 6206

Compound class: Synthetic organic
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 5
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 81.93
Molecular weight 321.12
XLogP 2.83
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES CCn1nnc(n1)NC(=O)C1c2ccccc2Oc2c1cccc2
Isomeric SMILES CCn1nnc(n1)NC(=O)C1c2ccccc2Oc2c1cccc2
InChI InChI=1S/C17H15N5O2/c1-2-22-20-17(19-21-22)18-16(23)15-11-7-3-5-9-13(11)24-14-10-6-4-8-12(14)15/h3-10,15H,2H2,1H3,(H,18,20,23)
InChI Key HVTLYEBQNBWUIT-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-(2-ethyltetrazol-5-yl)-9H-xanthene-9-carboxamide
Database Links Click here for help
Specialist databases
GPCRdb Ligand compound 4b [PMID: 16099654]
Other databases
GtoPdb PubChem SID 178102827
PubChem CID 9923127
Search Google for chemical match using the InChIKey HVTLYEBQNBWUIT-UHFFFAOYSA-N
Search Google for chemicals with the same backbone HVTLYEBQNBWUIT
UniChem Compound Search for chemical match using the InChIKey HVTLYEBQNBWUIT-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey HVTLYEBQNBWUIT-UHFFFAOYSA-N