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
ChEMBL Ligand CHEMBL1191534
GtoPdb PubChem SID 135650368
PubChem CID 122265
Search Google for chemical match using the InChIKey HYOLQGVNMQNERE-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey HYOLQGVNMQNERE-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey HYOLQGVNMQNERE-UHFFFAOYSA-N