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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL416081
CHEMBL416081
Compound Name CARBOFURAN
ChEMBL Synonyms Furadan | Carbofuran
Max Phase 0
Trade Names
Molecular Formula C12H15NO3

Additional synonyms for CHEMBL416081 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CNC(=O)Oc1cccc2CC(C)(C)Oc12
Standard InChI InChI=1S/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)1 ...
Download InChI
Standard InChI Key DUEPRVBVGDRKAG-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL416081

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
221.3 221.1052 2.12 1 47.56 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.28 - 1.73 1.73 1 16 0.79

Structural Alerts

There are 2 structural alerts for CHEMBL416081. To view alerts please click here.

Compound Cross References

IRAC A - NERVE ACTION
A1 - ACETYLCHOLINESTERASE (ACHE) INHIBITORS
A11A - CARBAMATES
A11A8 - CARBOFURAN
ChemSpider ChemSpider:DUEPRVBVGDRKAG-UHFFFAOYSA-N
PubChem SID: 144209153 SID: 144210940 SID: 26747753
Wikipedia Carbofuran

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL416081



ACToR 1563-66-2
BindingDB 50064619
Brenda 8632
ChEBI 34611
eMolecules 507164
EPA CompTox Dashboard DTXSID9020249
FDA SRS SKF77S6Y67
Human Metabolome Database HMDB0031770
IBM Patent System F8161B3E80CABBD205FD6D0B31E62602
KEGG Ligand C14291
LINCS LSM-3186
MolPort MolPort-003-665-452
Nikkaji J3.369C
NMRShiftDB 20039305
PubChem 2566
PubChem: Thomson Pharma 14892315
SureChEMBL SCHEMBL21656
ZINC ZINC000000056963

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