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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1566504
CHEMBL1566504
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C10H8Cl8

Additional synonyms for CHEMBL1566504 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES ClCC1(CCl)C(=C)C2(Cl)C(Cl)C(Cl)C1(Cl)C2(Cl)Cl
Standard InChI InChI=1S/C10H8Cl8/c1-4-7(2-11,3-12)9(16)6(14)5(13)8(4,15)10( ...
Download InChI
Standard InChI Key OEJNXTAZZBRGDN-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1566504

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
411.8 407.8134 5.38 2 0 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 5.72 5.72 0 18 0.42

Structural Alerts

There are 16 structural alerts for CHEMBL1566504. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OEJNXTAZZBRGDN-UHFFFAOYSA-N
PubChem SID: 144204724 SID: 144208110 SID: 17389704

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1566504



ACToR 8001-35-2
EPA CompTox Dashboard DTXSID90858936
Guide to Pharmacology 2830
IBM Patent System 9386D8CA95B46F6B9CCB9E2B48474AA4
PubChem 5284469
SureChEMBL SCHEMBL5933656

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