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EBI Databases Small Molecules ChEMBL Database CHEMBL359810

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL359810
CHEMBL359810
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C26H22F3N3O2

Additional synonyms for CHEMBL359810 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1=C(C(=O)N(C[C@H](N)c2ccccc2)C(=O)N1Cc3c(F)cccc3F)c4ccccc4 ...
Download SMILES
Standard InChI InChI=1S/C26H22F3N3O2/c1-16-24(18-10-5-6-11-20(18)27)25(33)3 ...
Download InChI
Standard InChI Key FSEVJYLGSSELNC-QHCPKHFHSA-N

Sources

  • AstraZeneca Deposited Data
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL359810

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
465.5 465.1664 4.15 6 70.02 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 0 5 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.49 5.4 4.29 4 34 0.47

Structural Alerts

There are no structural alerts for CHEMBL359810

Compound Cross References

ChemSpider ChemSpider:FSEVJYLGSSELNC-QHCPKHFHSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL359810



BindingDB 50144631 50161999
PubChem 11374717
PubChem: Thomson Pharma 16467987
ZINC ZINC000013609636

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