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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL538868
CHEMBL538868
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C10H6Cl2N2O2

Additional synonyms for CHEMBL538868 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Clc1ccc(NC(=O)c2oncc2)cc1Cl
Standard InChI InChI=1S/C10H6Cl2N2O2/c11-7-2-1-6(5-8(7)12)14-10(15)9-3-4-13 ...
Download InChI
Standard InChI Key UUHVRJUKMHUDDA-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL538868

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
257.1 255.9806 3.23 2 55.13 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.24 - 1.82 1.82 2 16 0.9

Structural Alerts

There are no structural alerts for CHEMBL538868

Compound Cross References

ChemSpider ChemSpider:UUHVRJUKMHUDDA-UHFFFAOYSA-N
PubChem SID: 85240641

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL538868



BindingDB 50293728
PubChem 44191098
PubChem: Thomson Pharma 85186800

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