ICI 169369   Click here for help

GtoPdb Ligand ID: 273

Synonyms: ICI-169,369 | ICI-169369
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 41.43
Molecular weight 308.13
XLogP 4.68
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CN(CCSc1nc2ccccc2cc1c1ccccc1)C
Isomeric SMILES CN(CCSc1nc2ccccc2cc1c1ccccc1)C
InChI InChI=1S/C19H20N2S/c1-21(2)12-13-22-19-17(15-8-4-3-5-9-15)14-16-10-6-7-11-18(16)20-19/h3-11,14H,12-13H2,1-2H3
InChI Key HYOLQGVNMQNERE-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N,N-dimethyl-2-(3-phenylquinolin-2-yl)sulfanylethanamine
Synonyms Click here for help
ICI-169,369 | ICI-169369
Database Links Click here for help
Specialist databases
GPCRdb Ligand ICI 169369
Other databases
ChEMBL Ligand CHEMBL1191534
GtoPdb PubChem SID 135650368
PubChem CID 122265
Search Google for chemical match using the InChIKey HYOLQGVNMQNERE-UHFFFAOYSA-N
Search Google for chemicals with the same backbone HYOLQGVNMQNERE
UniChem Compound Search for chemical match using the InChIKey HYOLQGVNMQNERE-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey HYOLQGVNMQNERE-UHFFFAOYSA-N