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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL424918
CHEMBL424918
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C20H10F4N2O

Additional synonyms for CHEMBL424918 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Fc1ccc(c(F)c1)c2nccc3N(C(=O)C=Cc23)c4c(F)cccc4F
Standard InChI InChI=1S/C20H10F4N2O/c21-11-4-5-12(16(24)10-11)19-13-6-7-18( ...
Download InChI
Standard InChI Key ZHYRMYNGJZLEKN-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL424918

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
370.3 370.0729 4.61 2 34.89 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 0 0 3 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 2.39 3.42 3.42 4 27 0.48

Structural Alerts

There are 3 structural alerts for CHEMBL424918. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZHYRMYNGJZLEKN-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL424918



PubChem 44418513
ZINC ZINC000036988456

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