S24773   Click here for help

GtoPdb Ligand ID: 1354

Synonyms: S 24773 | S-24773
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 64.35
Molecular weight 334.17
XLogP 3.88
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1ccc2c(c1)c(CCNC(=O)C)cc(c2)c1cccc(c1)N
Isomeric SMILES COc1ccc2c(c1)c(CCNC(=O)C)cc(c2)c1cccc(c1)N
InChI InChI=1S/C21H22N2O2/c1-14(24)23-9-8-17-11-18(15-4-3-5-19(22)12-15)10-16-6-7-20(25-2)13-21(16)17/h3-7,10-13H,8-9,22H2,1-2H3,(H,23,24)
InChI Key RUYDBTKHRKQOLY-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-[2-[3-(3-aminophenyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide
Synonyms Click here for help
S 24773 | S-24773
Database Links Click here for help
Specialist databases
GPCRdb Ligand S24773
Other databases
BindingDB Ligand 50263758
ChEMBL Ligand CHEMBL490188
GtoPdb PubChem SID 135650967
PubChem CID 22133318
Search Google for chemical match using the InChIKey RUYDBTKHRKQOLY-UHFFFAOYSA-N
Search Google for chemicals with the same backbone RUYDBTKHRKQOLY
UniChem Compound Search for chemical match using the InChIKey RUYDBTKHRKQOLY-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey RUYDBTKHRKQOLY-UHFFFAOYSA-N