ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL169328
CHEMBL169328
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H26N2O

Additional synonyms for CHEMBL169328 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCN(CCC)CCc1c[nH]c2ccc(OC)cc12
Standard InChI InChI=1S/C17H26N2O/c1-4-9-19(10-5-2)11-8-14-13-18-17-7-6-15( ...
Download InChI
Standard InChI Key PNHPVNBKLQWBKH-UHFFFAOYSA-N

Structural Alerts

There are 1 structural alerts for CHEMBL169328. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL169328

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
274.4 274.2045 4.25 8 28.26 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.6 4.39 2.19 2 20 0.78

Compound Cross References

ChemSpider ChemSpider:PNHPVNBKLQWBKH-UHFFFAOYSA-N
Wikipedia 5-MeO-DPT

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL169328



BindinDB 50020703
eMolecules 1938826
IBM Patent System 0DA3ED0F06146D020674A70B7AD59289
IBM Patents US5457120 US5594025 US5258379 EP0455510A2 US5340838 US5158956 EP0455510B1 US5576352 US5594034 US5096908
PubChem 14011047
SureChEMBL SCHEMBL8890578

UniChem REST Service Call: https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/PNHPVNBKLQWBKH-UHFFFAOYSA-N spacer
spacer