JTE-013   Click here for help

GtoPdb Ligand ID: 2917

Synonyms: JTE 013 | JTE013 | pyrazolopyridine analog
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 7
Hydrogen bond donors 3
Rotatable bonds 6
Topological polar surface area 96.76
Molecular weight 407.1
XLogP 4.75
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C
Isomeric SMILES O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C
InChI InChI=1S/C17H19Cl2N7O/c1-8(2)11-7-14(22-16-15(11)9(3)25-26(16)4)23-24-17(27)20-10-5-12(18)21-13(19)6-10/h5-8H,1-4H3,(H,22,23)(H2,20,21,24,27)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
JTE 013 | JTE013 | pyrazolopyridine analog
Database Links Click here for help
Specialist databases
GPCRdb Ligand JTE-013
Other databases
CAS Registry No. 383150-41-2 (source: Scifinder)
ChEMBL Ligand CHEMBL1368758
GtoPdb PubChem SID 135650448
PubChem CID 10223146
Search Google for chemical match using the InChIKey RNSLRQNDXRSASX-UHFFFAOYSA-N
Search Google for chemicals with the same backbone RNSLRQNDXRSASX
UniChem Compound Search for chemical match using the InChIKey RNSLRQNDXRSASX-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey RNSLRQNDXRSASX-UHFFFAOYSA-N

Product suppliers

View disclaimer

JTE 013 (links to external site)
Cat. No. 2392