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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL219869
CHEMBL219869
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C20H10Cl2F2N2O

Additional synonyms for CHEMBL219869 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Fc1ccc(c(F)c1)c2nccc3N(C(=O)C=Cc23)c4c(Cl)cccc4Cl
Standard InChI InChI=1S/C20H10Cl2F2N2O/c21-14-2-1-3-15(22)20(14)26-17-8-9-2 ...
Download InChI
Standard InChI Key LEQIYANLBCTNDM-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL219869

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
403.2 402.0138 5.64 2 34.89 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 0 1 3 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 2.59 4.55 4.55 4 27 0.43

Structural Alerts

There are 3 structural alerts for CHEMBL219869. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LEQIYANLBCTNDM-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL219869



IBM Patent System 6020BDF458B4F6D1A73FAA0106FA7248
PubChem 23532561
SureChEMBL SCHEMBL6671359
ZINC ZINC000036988454

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