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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

Structural Alerts

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

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

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 ZINC00236891

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