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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL71855
CHEMBL71855
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C8H6Cl2N2

Additional synonyms for CHEMBL71855 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1nc2cc(Cl)c(Cl)cc2[nH]1
Standard InChI InChI=1S/C8H6Cl2N2/c1-4-11-7-2-5(9)6(10)3-8(7)12-4/h2-3H,1H3 ...
Download InChI
Standard InChI Key WMOBNOCVMZFPEN-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL71855

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
201.1 199.9908 3.18 0 28.68 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 1 0 2 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.94 4.38 3.62 3.62 2 12 0.7

Structural Alerts

There are no structural alerts for CHEMBL71855

Compound Cross References

ChemSpider ChemSpider:WMOBNOCVMZFPEN-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL71855



BindingDB 50404935
eMolecules 919393
EPA CompTox Dashboard DTXSID10345959
IBM Patent System 0DA8F4ABCCB6E76F54FABF886B6B61C5
MolPort MolPort-001-761-353
Nikkaji J1.772.012K
PubChem 608319
PubChem: Thomson Pharma 143487187
SureChEMBL SCHEMBL316047
ZINC ZINC000000128936

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