ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL359480
CHEMBL359480
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C21H26N2O2

Additional synonyms for CHEMBL359480 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCN(CC)c1ccc(NC(=O)C2CCc3cccc(O)c3C2)cc1
Standard InChI InChI=1S/C21H26N2O2/c1-3-23(4-2)18-12-10-17(11-13-18)22-21(2 ...
Download InChI
Standard InChI Key CCGQQLNYYDMYKY-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL359480

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
338.5 338.1994 3.98 5 52.57 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.41 7.11 3.88 3.48 2 25 0.87

Structural Alerts

There are no structural alerts for CHEMBL359480

Compound Cross References

ChemSpider ChemSpider:CCGQQLNYYDMYKY-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL359480



IBM Patent System 15C4660E3EC3E1A7F6100A37A76805E0
PubChem 44391342

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