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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1272021
CHEMBL1272021
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H28N4O2

Additional synonyms for CHEMBL1272021 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCNC(=O)c1ccc2\C(=C\Nc3ccc(CN4CCCCC4)cc3)\C(=O)Nc2c1
Standard InChI InChI=1S/C24H28N4O2/c1-2-25-23(29)18-8-11-20-21(24(30)27-22( ...
Download InChI
Standard InChI Key GNNMAPGYHFHFJB-QNGOZBTKSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1272021

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
404.5 404.2212 3.83 6 73.47 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 3 0 6 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.79 9.23 2.14 .34 2 30 0.64

Structural Alerts

There are 1 structural alerts for CHEMBL1272021. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GNNMAPGYHFHFJB-QNGOZBTKSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1272021



PubChem 11647100
PubChem: Thomson Pharma 16750500
SureChEMBL SCHEMBL3672813
ZINC ZINC000035997246

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