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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL274833
CHEMBL274833
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C26H26N2O2

Additional synonyms for CHEMBL274833 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1c(C(=O)c2cccc3ccccc23)c4ccccc4n1CCN5CCOCC5
Standard InChI InChI=1S/C26H26N2O2/c1-19-25(26(29)22-11-6-8-20-7-2-3-9-21(2 ...
Download InChI
Standard InChI Key MCYSYVGXDRTALC-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL274833

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
398.5 398.1994 4.67 5 34.47 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.06 5.83 5.67 4 30 0.46

Structural Alerts

There are 1 structural alerts for CHEMBL274833. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MCYSYVGXDRTALC-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL274833



BindingDB 50009864
IBM Patent System 9CA9FBF7ABD36B63213C6038E498AB61
Nikkaji J360.177C
PubChem 10250275
PubChem: Thomson Pharma 15253536
SureChEMBL SCHEMBL10669175
ZINC ZINC000013742556

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