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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL49338
CHEMBL49338
Compound Name DIFLUBENZURON
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H9ClF2N2O2

Additional synonyms for CHEMBL49338 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Fc1cccc(F)c1C(=O)NC(=O)Nc2ccc(Cl)cc2
Standard InChI InChI=1S/C14H9ClF2N2O2/c15-8-4-6-9(7-5-8)18-14(21)19-13(20)1 ...
Download InChI
Standard InChI Key QQQYTWIFVNKMRW-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL49338

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
310.7 310.0321 3.47 2 58.2 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 2 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.78 - 3.86 3.71 2 21 0.89

Structural Alerts

There are 1 structural alerts for CHEMBL49338. To view alerts please click here.

Compound Cross References

IRAC C - GROWTH REGULATION
C15 - INHIBITORS OF CHITIN BIOSYNTHESIS, TYPE 0
C1515A - BENZOYLUREAS
C1515A3 - DIFLUBENZURON
ChemSpider ChemSpider:QQQYTWIFVNKMRW-UHFFFAOYSA-N
PubChem SID: 144209167 SID: 144213455 SID: 26747819 SID: 26753710
Wikipedia Diflubenzuron

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL49338



ACToR 35367-38-5 104790-81-0
ChEBI 34703
eMolecules 509740
EPA CompTox Dashboard DTXSID1024049
FDA SRS J76U6ZSI8D
Human Metabolome Database HMDB31778
IBM Patent System FF2B930645A5EA2CF5B79C56555BD0EE
KEGG Ligand C14427
Mcule MCULE-6280315206
MolPort MolPort-001-772-909
Nikkaji J1.888K
PubChem 37123
PubChem: Thomson Pharma 14800952
SureChEMBL SCHEMBL42416
ZINC ZINC000000236891

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