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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL110626
CHEMBL110626
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C29H36N2O5

Additional synonyms for CHEMBL110626 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc(CCNCCC2CN(Cc3ccc(OC)c(OC)c3)c4ccccc4O2)cc1OC
Standard InChI InChI=1S/C29H36N2O5/c1-32-26-11-9-21(17-28(26)34-3)13-15-30- ...
Download InChI
Standard InChI Key REVCVWLFVOBUJS-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL110626

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
492.6 492.2624 4.71 12 61.42 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 1 0 7 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.55 4.04 1.9 3 36 0.37

Structural Alerts

There are 1 structural alerts for CHEMBL110626. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:REVCVWLFVOBUJS-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL110626



Nikkaji J1.011.822K
PubChem 10553179
PubChem: Thomson Pharma 15580254

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