| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:14:48 UTC |
|---|
| Update Date | 2025-03-25 00:59:07 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02235156 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C24H28F3N3O3S |
|---|
| Molecular Mass | 495.1803 |
|---|
| SMILES | Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(=O)(=O)N(CC(C)C)CC(C)O)cc2)cc1 |
|---|
| InChI Key | DZKSVVVWBUOMMG-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | azoles |
|---|
| Subclass | pyrazoles |
|---|
| Direct Parent | phenylpyrazoles |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | alkyl fluoridesaminosulfonyl compoundsazacyclic compoundsbenzenesulfonamidesbenzenesulfonyl compoundsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidessecondary alcoholstoluenes |
|---|
| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietyaromatic heteromonocyclic compoundorganosulfur compoundorganohalogen compoundorganosulfonic acid amidephenylpyrazoleorganic oxideorganonitrogen compoundorganopnictogen compoundalkyl halidebenzenesulfonyl groupalcoholbenzenesulfonamideazacycleaminosulfonyl compoundalkyl fluorideorganofluorideheteroaromatic compoundsulfonylorganic oxygen compoundorganic sulfonic acid or derivativessecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundtolueneorganooxygen compound |
|---|
