FPTQ   Click here for help

GtoPdb Ligand ID: 6353

Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 55.97
Molecular weight 305.11
XLogP 2.82
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Cc1c(nnn1c1cccnc1F)c1ccc2c(c1)cccn2
Isomeric SMILES Cc1c(nnn1c1cccnc1F)c1ccc2c(c1)cccn2
InChI InChI=1S/C17H12FN5/c1-11-16(13-6-7-14-12(10-13)4-2-8-19-14)21-22-23(11)15-5-3-9-20-17(15)18/h2-10H,1H3
InChI Key RTUBNVSZHGWRCV-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
6-[1-(2-fluoropyridin-3-yl)-5-methyltriazol-4-yl]quinoline
Database Links Click here for help
Specialist databases
GPCRdb Ligand FPTQ
Other databases
ChEMBL Ligand CHEMBL1645352
GtoPdb PubChem SID 178102971
PubChem CID 11301185
Search Google for chemical match using the InChIKey RTUBNVSZHGWRCV-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey RTUBNVSZHGWRCV-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey RTUBNVSZHGWRCV-UHFFFAOYSA-N