GR-55562   Click here for help

GtoPdb Ligand ID: 113

Synonyms: GR 55562 | GR55562
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 4
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 65.46
Molecular weight 375.19
XLogP 3.54
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES CN(CCCc1cc(ccc1O)C(=O)Nc1ccc(cc1)c1ccncc1)C
Isomeric SMILES CN(CCCc1cc(ccc1O)C(=O)Nc1ccc(cc1)c1ccncc1)C
InChI InChI=1S/C23H25N3O2/c1-26(2)15-3-4-19-16-20(7-10-22(19)27)23(28)25-21-8-5-17(6-9-21)18-11-13-24-14-12-18/h5-14,16,27H,3-4,15H2,1-2H3,(H,25,28)
InChI Key ZAGAUUVCYGSPBP-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-(3-dimethylaminopropyl)-4-hydroxy-N-(4-pyridin-4-ylphenyl)benzamide
Synonyms Click here for help
GR 55562 | GR55562
Database Links Click here for help
CAS Registry No. 159533-26-3 (source: Scifinder)
ChEMBL Ligand CHEMBL119264
GtoPdb PubChem SID 135650319
PubChem CID 128018
Search Google for chemical match using the InChIKey ZAGAUUVCYGSPBP-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ZAGAUUVCYGSPBP
Search UniChem for chemical match using the InChIKey ZAGAUUVCYGSPBP-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone ZAGAUUVCYGSPBP