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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL222644
CHEMBL222644
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C20H29NO2

Additional synonyms for CHEMBL222644 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCCCCCCN1C(=O)C(=O)c2ccccc12
Standard InChI InChI=1S/C20H29NO2/c1-2-3-4-5-6-7-8-9-10-13-16-21-18-15-12-1 ...
Download InChI
Standard InChI Key GQEQKTGRIPEAKW-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL222644

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
315.5 315.2198 5.14 11 37.38 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 0 1 3 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 6.18 6.18 1 23 0.42

Structural Alerts

There are 12 structural alerts for CHEMBL222644. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GQEQKTGRIPEAKW-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL222644



BindingDB 22842
Brenda 18337
eMolecules 1202244
IBM Patent System BE70F84860420CF9FE9569D0543B5640
Mcule MCULE-8165718827
MolPort MolPort-001-926-800
Nikkaji J3.083.893I
PubChem 1897797
PubChem: Thomson Pharma 26724042
SureChEMBL SCHEMBL3016105
ZINC ZINC000002272127

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