HQL-79   

GtoPdb Ligand ID: 6662

Synonyms: HQL 79 | HQL79
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 66.93
Molecular weight 377.22
XLogP 4.32
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES c1ccc(cc1)C(c1ccccc1)OC1CCN(CC1)CCCc1nnn[nH]1
Isomeric SMILES c1ccc(cc1)C(c1ccccc1)OC1CCN(CC1)CCCc1nnn[nH]1
InChI InChI=1S/C22H27N5O/c1-3-8-18(9-4-1)22(19-10-5-2-6-11-19)28-20-13-16-27(17-14-20)15-7-12-21-23-25-26-24-21/h1-6,8-11,20,22H,7,12-17H2,(H,23,24,25,26)
InChI Key TZQGXAHOROZEKN-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
4-[di(phenyl)methoxy]-1-[3-(2H-tetrazol-5-yl)propyl]piperidine
Synonyms
HQL 79 | HQL79
Database Links
CAS Registry No. 162641-16-9 (source: SciFinder)
ChEMBL Ligand CHEMBL574003
DrugBank Ligand DB07917
GtoPdb PubChem SID 178103274
PubChem CID 6540277
RCSB PDB Ligand HQL
Search Google for chemical match using the InChIKey TZQGXAHOROZEKN-UHFFFAOYSA-N
Search Google for chemicals with the same backbone TZQGXAHOROZEKN
Search UniChem for chemical match using the InChIKey TZQGXAHOROZEKN-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone TZQGXAHOROZEKN
SynPHARM 78600 (in complex with H-PGDS)

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Tocris
HQL 79
Cat. No. 3530