Azidoindolene 1 (CED0000052)

Record Information
Version1.0
Creation Date2026-04-03 03:26:47 UTC
Update Date2026-04-03 03:26:47 UTC
Accession NumberCHEM060871
Identification
Common NameAzidoindolene 1
ClassSmall Molecule
Description
Azidoindolene 1 belongs to the indoles and derivatives, a class of organoheterocyclic compounds within the organic compounds. This compound has the chemical formula C21H28F1N3O2.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC21H28F1N3O2
Average Molecular MassNot Available
Monoisotopic Mass373.217 g/mol
CAS Registry Number1364933-69-6
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C21H28FN3O2/c1-20(2)17(21(20,3)4)18(26)24-23-16-14-10-6-7-11-15(14)25(19(16)27)13-9-5-8-12-22/h6-7,10-11,17H,5,8-9,12-13H2,1-4H3,(H,24,26)/b23-16-
InChI KeyPRXCXNXDBMJFFC-KQWNVCNZSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
1305.0Log mg/kg[730:2300]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Liver carboxylesterase 1 structureClick to view 3D structureLiver carboxylesterase 1P23141HumansPredicted (SEA)27.3251
Click to view 3D structure5-hydroxytryptamine receptor 1AP19327Rattus norvegicusPredicted (SEA)554.209
Click to view 3D structureUreaseQ0PXQ5Helicobacter pyloriPredicted (SEA)2.80257
Protein deacetylase HDAC6 structureClick to view 3D structureProtein deacetylase HDAC6Q9UBN7HumansPredicted (SEA)951.318
Aldehyde dehydrogenase 1A1 structureClick to view 3D structureAldehyde dehydrogenase 1A1P00352HumansPredicted (SEA)14.3243
Click to view 3D structureAcetylcholinesteraseO42275Electrophorus electricusPredicted (SEA)379.904
Click to view 3D structureAcetylcholinesteraseP37136Rattus norvegicusPredicted (SEA)178.664
Histone deacetylase 2 structureClick to view 3D structureHistone deacetylase 2Q92769HumansPredicted (SEA)670.982
Histone deacetylase 7 structureClick to view 3D structureHistone deacetylase 7Q8WUI4HumansPredicted (SEA)303.223
5-hydroxytryptamine receptor 1A structureClick to view 3D structure5-hydroxytryptamine receptor 1AP08908HumansPredicted (SEA)1198.18
Aldehyde dehydrogenase, dimeric NADP-preferring structureClick to view 3D structureAldehyde dehydrogenase, dimeric NADP-preferringP30838HumansPredicted (SEA)6.15009
Amine oxidase [flavin-containing] B structureClick to view 3D structureAmine oxidase [flavin-containing] BP27338HumansPredicted (SEA)613.608
Histamine H1 receptor structureClick to view 3D structureHistamine H1 receptorP35367HumansPredicted (SEA)940.73
Click to view 3D structureD(2) dopamine receptorP61169RatPredicted (SEA)901.26
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP22303HumansPredicted (SEA)893.553
5-hydroxytryptamine receptor 7 structureClick to view 3D structure5-hydroxytryptamine receptor 7P34969HumansPredicted (SEA)1058.52
Click to view 3D structureCholinesteraseP81908Equus caballusPredicted (SEA)563.161
Click to view 3D structureHistamine H1 receptorP31390Rattus norvegicusPredicted (SEA)166.831
Histone deacetylase 1 structureClick to view 3D structureHistone deacetylase 1Q13547HumansPredicted (SEA)1566.4
Histone deacetylase 4 structureClick to view 3D structureHistone deacetylase 4P56524HumansPredicted (SEA)639.064
Click to view 3D structure5-hydroxytryptamine receptor 2AP14842Rattus norvegicusPredicted (SEA)909.279
D(2) dopamine receptor structureClick to view 3D structureD(2) dopamine receptorP14416HumansPredicted (SEA)2042.61
Click to view 3D structure5-hydroxytryptamine receptor 7P32305Rattus norvegicusPredicted (SEA)369.628
Click to view 3D structureButyrylcholinesteraseQ9JKC1Rattus norvegicusPredicted (SEA)106.653
Muscarinic acetylcholine receptor M1 structureClick to view 3D structureMuscarinic acetylcholine receptor M1P11229HumansPredicted (SEA)1061.47
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available