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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL584554
CHEMBL584554
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C26H28N4O2

Additional synonyms for CHEMBL584554 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)Nc ...
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Standard InChI InChI=1S/C26H28N4O2/c1-3-29(4-2)25(31)18-13-21-20-11-8-12-22 ...
Download InChI
Standard InChI Key QIPWTYSOANVUKJ-WZONZLPQSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL584554

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
428.5 428.2212 4.51 4 68.44 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.75 .23 5.33 5.33 3 32 0.64

Structural Alerts

There are no structural alerts for CHEMBL584554

Compound Cross References

ChemSpider ChemSpider:QIPWTYSOANVUKJ-WZONZLPQSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL584554



BindingDB 50299165
PubChem 45482789
PubChem: Thomson Pharma 96027643
ZINC ZINC000034837617

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