compound 22 [PMID: 17276684]   Click here for help

GtoPdb Ligand ID: 6358

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 2
Rotatable bonds 3
Topological polar surface area 54.12
Molecular weight 306.14
XLogP 3.95
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Cc1cc2[nH]c3c(c2cc1OCc1ccccc1)CCNC3=O
Isomeric SMILES Cc1cc2[nH]c3c(c2cc1OCc1ccccc1)CCNC3=O
InChI InChI=1S/C19H18N2O2/c1-12-9-16-15(14-7-8-20-19(22)18(14)21-16)10-17(12)23-11-13-5-3-2-4-6-13/h2-6,9-10,21H,7-8,11H2,1H3,(H,20,22)
InChI Key DYTMNPUOZGPWQA-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
7-methyl-6-(phenylmethoxy)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one
Database Links Click here for help
Specialist databases
GPCRdb Ligand compound 22 [PMID: 17276684]
Other databases
ChEMBL Ligand CHEMBL396712
GtoPdb PubChem SID 178102976
PubChem CID 16739288
Search Google for chemical match using the InChIKey DYTMNPUOZGPWQA-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey DYTMNPUOZGPWQA-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey DYTMNPUOZGPWQA-UHFFFAOYSA-N