Chemical
Browse
Active Pharmaceutical Ingredients
Bioactive chemicals
Agrochemicals
Search
Chemical Structure
Explore
Chemical Similarity
Transformation
Browse
Prodrugs
Drug Metabolites
Metabolite Datasets
Biochemical Action
Browse
Target Level (ChEMBL)
Level 1
Level 2
Level 3
Level 4
Level 5
Level 6
Mechanism of action
Search
Mechanism of action
BLAST against human drug target
BLAST against selected species (UniProt)
Exposure
Browse
Monitoring data
Downloads
Web services
Bulk downloads
About
About EcoDrug+
Citing
Data Sources
Contact Us
Versions and log file
RPA 106681
Search structure
Keyword(s):
Human Metabolites
Molecule Category
Free-form
Datasets:
Active Pharmaceutical Ingredients
Bioactive chemicals
Agrochemicals
Human Metabolites
Search:
Exact
Similarity
SubStructure
Threshold (%) >=
70
Structure
InChI Key
XCVWAYYMOBHADX-UHFFFAOYSA-N
Smiles
C1=C(C(=C(C=C1C(F)(F)F)Cl)N2C(=C(C(=N2)C(=O)O)S(=O)(=O)C(F)(F)F)N)Cl
InChI
None
Physicochemical Descriptors
Property Name
Value
Molecular Formula
C12H5Cl2F6N3O4S
Cross References
Resources
Reference
NORMAN SUSDAT
NS00067398
PubChem
23079074
CONTENTS
Structure
Chemical and Physical Properties