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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1271471
CHEMBL1271471
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C28H30N4O2

Additional synonyms for CHEMBL1271471 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCNCc1ccc(N\C(=C\2/C(=O)Nc3cc(ccc23)C(=O)N(C)CC)\c4ccccc4)cc ...
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Standard InChI InChI=1S/C28H30N4O2/c1-4-29-18-19-11-14-22(15-12-19)30-26(20 ...
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Standard InChI Key HXGCZFAFMWTKPO-QPLCGJKRSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1271471

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
454.6 454.2369 4.82 8 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
11.35 9.87 2.76 .35 3 34 0.43

Structural Alerts

There are 3 structural alerts for CHEMBL1271471. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HXGCZFAFMWTKPO-QPLCGJKRSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1271471



PubChem 49788420
PubChem: Thomson Pharma 103063424
SureChEMBL SCHEMBL2569921
ZINC ZINC000064512980

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