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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL298579
CHEMBL298579
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C28H27F2N5O4

Additional synonyms for CHEMBL298579 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Fc1ccc(cc1F)C2N(C(=O)NCCCN3CCC(CC3)(C#N)c4ccccc4)C(=O)NC5=C2 ...
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Standard InChI InChI=1S/C28H27F2N5O4/c29-20-8-7-18(15-21(20)30)24-23-22(16- ...
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Standard InChI Key YXGDGGYNHGGLOW-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL298579

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
535.6 535.2031 3.5 6 114.77 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 1 9 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.18 7.18 1.41 1.25 2 39 0.43

Structural Alerts

There are 3 structural alerts for CHEMBL298579. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YXGDGGYNHGGLOW-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL298579



BindingDB 50084997
Nikkaji J1.232.662I
PubChem 44295044

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