| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:14 UTC |
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| Update Date | 2025-03-25 00:45:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151692 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H12F3N5S |
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| Molecular Mass | 339.0766 |
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| SMILES | FC(F)(F)CCSc1nc(Nc2ccccc2)c2nc[nH]c2n1 |
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| InChI Key | TWEQTENQKFGDOG-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | imidazopyrimidines |
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| Subclass | purines and purine derivatives |
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| Direct Parent | purines and purine derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl fluoridesalkylarylthioethersazacyclic compoundsbenzene and substituted derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsorganofluoridesorganopnictogen compoundspyrimidines and pyrimidine derivativessecondary aminessulfenyl compounds |
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| Substituents | monocyclic benzene moietyalkylarylthioetherorganosulfur compoundorganohalogen compoundaryl thioetherpyrimidinearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundalkyl halideimidolactamazolesulfenyl compoundazacyclealkyl fluorideorganofluorideheteroaromatic compoundsecondary aminethioetherhydrocarbon derivativebenzenoidpurineorganic nitrogen compoundamine |
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