ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL179702
CHEMBL179702
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C26H34N2O3

Additional synonyms for CHEMBL179702 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@H]1CC[C@@H](C)N1CCCOc2ccc(cc2)c3ccc(cc3)C(=O)N4CCOCC4
Standard InChI InChI=1S/C26H34N2O3/c1-20-4-5-21(2)28(20)14-3-17-31-25-12-10 ...
Download InChI
Standard InChI Key CFUHKRLMDNFZED-NHCUHLMSSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL179702

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
422.6 422.2569 3.85 7 42.01 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 0 0 5 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.31 3.32 .62 2 31 0.64

Structural Alerts

There are 1 structural alerts for CHEMBL179702. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CFUHKRLMDNFZED-NHCUHLMSSA-N
Wikipedia A-349,821

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL179702



BindingDB 50158595
FDA SRS 67WL275ISI
IBM Patent System B83678C780C4E3F5854E90F4AA20DC6B
Nikkaji J2.020.616K
PubChem 9954017
PubChem: Thomson Pharma 14929524
SureChEMBL SCHEMBL7594032
ZINC ZINC000003975242

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