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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL218968
CHEMBL218968
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C20H10F4N2O2

Additional synonyms for CHEMBL218968 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1cc2N(C(=O)C=Cc2c(n1)c3ccc(F)cc3F)c4c(F)cccc4F
Standard InChI InChI=1S/C20H10F4N2O2/c21-10-4-5-11(15(24)8-10)19-12-6-7-18( ...
Download InChI
Standard InChI Key BSKASJBDVDOKBE-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL218968

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
386.3 386.0678 4.31 2 55.12 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.7 3.8 3.64 4 28 0.52

Structural Alerts

There are 3 structural alerts for CHEMBL218968. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BSKASJBDVDOKBE-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL218968



PubChem 44418521
ZINC ZINC000036988458

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