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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL302168
CHEMBL302168
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C22H34N2O2

Additional synonyms for CHEMBL302168 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCNC(=O)Oc1ccc2C3CC(C)(CCN3CC)c2c1
Standard InChI InChI=1S/C22H34N2O2/c1-4-6-7-8-9-13-23-21(25)26-17-10-11-18- ...
Download InChI
Standard InChI Key GTJDKKGEHMPRJD-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL302168

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
358.5 358.262 5.17 8 41.57 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 1 4 1 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.41 9.59 4.76 2.63 1 26 0.65

Structural Alerts

There are 7 structural alerts for CHEMBL302168. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GTJDKKGEHMPRJD-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL302168



BindingDB 50038737
Nikkaji J598.793H
PubChem 14857745

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