ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL183124
CHEMBL183124
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C28H39N3O3

Additional synonyms for CHEMBL183124 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCN(CCC)c1ccc(NC(=O)C2(CCc3ccccc3C2)NC(=O)OCC(C)C)cc1
Standard InChI InChI=1S/C28H39N3O3/c1-5-17-31(18-6-2)25-13-11-24(12-14-25)2 ...
Download InChI
Standard InChI Key NJIMPMONTLMOKU-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL183124

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
465.6 465.2991 5.56 10 70.67 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 1 6 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.54 6.13 5.89 5.83 2 34 0.48

Structural Alerts

There are 3 structural alerts for CHEMBL183124. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NJIMPMONTLMOKU-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL183124



PubChem 44391339

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