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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL276458
CHEMBL276458
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C22H22N4O2

Additional synonyms for CHEMBL276458 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C(NCc1ccccc1)Nc2cccc(NC(=O)NCc3ccccc3)c2
Standard InChI InChI=1S/C22H22N4O2/c27-21(23-15-17-8-3-1-4-9-17)25-19-12-7- ...
Download InChI
Standard InChI Key DFTPMPYLZIATAV-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL276458

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
374.4 374.1743 4.33 6 82.26 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 4 0 6 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.65 .56 3.02 3.02 3 28 0.52

Structural Alerts

There are no structural alerts for CHEMBL276458

Compound Cross References

ChemSpider ChemSpider:DFTPMPYLZIATAV-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL276458



PubChem 11014224
PubChem: Thomson Pharma 16075857
ZINC ZINC000013493770

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