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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL216650
CHEMBL216650
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C20H10Cl2F2N2O2

Additional synonyms for CHEMBL216650 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [O-][n+]1ccc2N(C(=O)C=Cc2c1c3ccc(F)cc3F)c4c(Cl)cccc4Cl
Standard InChI InChI=1S/C20H10Cl2F2N2O2/c21-14-2-1-3-15(22)20(14)26-17-8-9- ...
Download InChI
Standard InChI Key FCJMQXODPHVAOG-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL216650

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
419.2 418.0087 4.88 2 48.94 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 0 0 4 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- .65 1.55 1.55 4 28 0.34

Structural Alerts

There are 5 structural alerts for CHEMBL216650. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FCJMQXODPHVAOG-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL216650



PubChem 44418514
ZINC ZINC000036988457

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