ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL462576
CHEMBL462576
Compound Name KEPONE
ChEMBL Synonyms Kepone
Max Phase 0
Trade Names
Molecular Formula C10Cl10O

Additional synonyms for CHEMBL462576 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES ClC1(Cl)C2(Cl)C3(Cl)C4(Cl)C(=O)C5(Cl)C(Cl)(C1(Cl)C35Cl)C24Cl
Standard InChI InChI=1S/C10Cl10O/c11-2-1(21)3(12)6(15)4(2,13)8(17)5(2,14)7( ...
Download InChI
Standard InChI Key LHHGDZSESBACKH-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database

Alternate Forms of Compound in ChEMBL


CHEMBL462576

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
490.6 485.6834 4.64 0 17.07 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 5.41 5.41 0 21 0.45

Structural Alerts

There are 10 structural alerts for CHEMBL462576. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LHHGDZSESBACKH-UHFFFAOYSA-N
PubChem SID: 144208790 SID: 144210418 SID: 17388955 SID: 17389843 SID: 26752871 SID: 56462801 SID: 85148750
Wikipedia Kepone

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL462576



ACToR 143-50-0
Brenda 104138 12470
ChEBI 16548
eMolecules 509636
EPA CompTox Dashboard DTXSID1020770
Human Metabolome Database HMDB0059603
IBM Patent System 4782F7754AA724DD676DE2943C4865D7
KEGG Ligand C01792
LINCS LSM-36918
Nikkaji J10.213J
PubChem 299
PubChem: Thomson Pharma 15381849
Rhea 16548
SureChEMBL SCHEMBL119101

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