ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1278147
CHEMBL1278147
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H27ClN4O2

Additional synonyms for CHEMBL1278147 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCN(CC)CCN1CCc2[nH]c(\C=C\3/C(=O)Nc4ccc(Cl)cc34)c(C)c2C1=O
Standard InChI InChI=1S/C23H27ClN4O2/c1-4-27(5-2)10-11-28-9-8-19-21(23(28)3 ...
Download InChI
Standard InChI Key CCIRQCXOVCNPBI-LGMDPLHJSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1278147

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
427 426.1823 3.81 6 68.44 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 6 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.88 9.81 2.12 -.06 2 30 0.69

Structural Alerts

There are 3 structural alerts for CHEMBL1278147. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CCIRQCXOVCNPBI-LGMDPLHJSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1278147



BindingDB 50331024
PubChem 24742411
PubChem: Thomson Pharma 49636031
SureChEMBL SCHEMBL137075
ZINC ZINC000064448380

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