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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL228511
CHEMBL228511
Compound Name DICOFOL
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H9Cl5O

Additional synonyms for CHEMBL228511 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(c1ccc(Cl)cc1)(c2ccc(Cl)cc2)C(Cl)(Cl)Cl
Standard InChI InChI=1S/C14H9Cl5O/c15-11-5-1-9(2-6-11)13(20,14(17,18)19)10- ...
Download InChI
Standard InChI Key UOAMTSKGCBMZTC-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL228511

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
370.5 367.9096 5.62 3 20.23 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.7 - 5.33 5.33 2 20 0.7

Structural Alerts

There are 5 structural alerts for CHEMBL228511. To view alerts please click here.

Compound Cross References

IRAC U - UNKNOWN
UUN - COMPOUNDS OF UNKNOWN OR UNCERTAIN MOA
UUNUNF - DICOFOL
UUNUNF1 - DICOFOL
ChemSpider ChemSpider:UOAMTSKGCBMZTC-UHFFFAOYSA-N
PubChem SID: 144211305 SID: 17389924 SID: 26752900
Wikipedia Dicofol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL228511



ACToR 115-32-2
ChEBI 34692
eMolecules 2725429
EPA CompTox Dashboard DTXSID4020450
FDA SRS W4WMM0WS91
IBM Patent System E7C30C07AE98C808F7F2FE029544391F
KEGG Ligand C14301
Nikkaji J2.467H
NMRShiftDB 20209823
PubChem 8268
PubChem: Thomson Pharma 14978867
SureChEMBL SCHEMBL26640
ZINC ZINC000002041041

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