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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1272289
CHEMBL1272289
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C27H28N4O2

Additional synonyms for CHEMBL1272289 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCNC(=O)c1ccc2\C(=C(\Nc3ccc(CN(C)C)cc3)/c4ccccc4)\C(=O)Nc2c1
Standard InChI InChI=1S/C27H28N4O2/c1-4-28-26(32)20-12-15-22-23(16-20)30-27 ...
Download InChI
Standard InChI Key YLJGNMFEAJARMT-IZHYLOQSSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1272289

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
440.6 440.2212 4.43 7 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
11.31 9 2.56 .84 3 33 0.48

Structural Alerts

There are 3 structural alerts for CHEMBL1272289. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YLJGNMFEAJARMT-IZHYLOQSSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1272289



PubChem 11662159
PubChem: Thomson Pharma 16765828
SureChEMBL SCHEMBL2567313
ZINC ZINC000101372852

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