ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1878071
CHEMBL1878071
Compound Name FLAZASULFURON
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C13H12F3N5O5S

Additional synonyms for CHEMBL1878071 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2ncccc2C(F)(F)F)n1
Standard InChI InChI=1S/C13H12F3N5O5S/c1-25-8-6-9(26-2)19-11(18-8)20-12(22) ...
Download InChI
Standard InChI Key HWATZEJQIXKWQS-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1878071

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
407.3 407.0511 1.42 5 132.4 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 2 0 10 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.55 - 2.73 .73 2 27 0.76

Structural Alerts

There are 1 structural alerts for CHEMBL1878071. To view alerts please click here.

Compound Cross References

HRAC B - INHIBITION OF ACETOLACTATE SYNTHASE ALS (ACETOHYDROXYACID SYNTHASE AHAS)
B1 - SULFONYLUREA
B110 - FLAZASULFURON
ChemSpider ChemSpider:HWATZEJQIXKWQS-UHFFFAOYSA-N
PubChem SID: 26757683

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1878071



ACToR 104040-78-0
ChEBI 81749
eMolecules 499390
EPA CompTox Dashboard DTXSID3034610
FDA SRS 3SB13WWV30
IBM Patent System B73A30538D7E47C31FB9F1B02D6E7E4A
KEGG Ligand C18441
MolPort MolPort-005-941-747
Nikkaji J268.463B
PubChem 93539
PubChem: Thomson Pharma 26698057
SureChEMBL SCHEMBL54678
ZINC ZINC000006088311

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