ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL273978
CHEMBL273978
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C26H29NO

Additional synonyms for CHEMBL273978 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC\C(=C(/c1ccccc1)\c2ccc(OCN(C)C)cc2)\Cc3ccccc3
Standard InChI InChI=1S/C26H29NO/c1-4-22(19-21-11-7-5-8-12-21)26(23-13-9-6- ...
Download InChI
Standard InChI Key FMHQDBFMJHNCPF-ROMGYVFFSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL273978

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
371.5 371.2249 6.04 8 12.47 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.04 5.82 5.66 3 28 0.45

Structural Alerts

There are 2 structural alerts for CHEMBL273978. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FMHQDBFMJHNCPF-ROMGYVFFSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL273978



BindingDB 50098301
Nikkaji J1.524.241H
PubChem 11793602
PubChem: Thomson Pharma 16906899
ZINC ZINC000026017551

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