| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:12 UTC |
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| Update Date | 2025-03-25 00:53:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02199408 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C24H23N7OS |
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| Molecular Mass | 457.1685 |
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| SMILES | N=c1[nH]c(=O)c2c(CN3CCN(C4=Nc5ccccc5Sc5ccccc54)CC3)c[nH]c2[nH]1 |
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| InChI Key | NDBCFPLOFBAGRN-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 | benzothiazepines |
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| Subclass | dibenzothiazepines |
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| Direct Parent | dibenzothiazepines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | amidinesaralkylaminesazacyclic compoundsbenzenoidsdiarylthioethersheteroaromatic compoundshydrocarbon derivativesimidolactamslactamsn-alkylpiperazinesorganic oxidesorganooxygen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrimidonespyrrolespyrrolo[2,3-d]pyrimidinestrialkylaminesvinylogous amides |
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| Substituents | lactampyrimidoneamidinearyl thioetheraralkylaminepyrimidinepropargyl-type 1,3-dipolar organic compoundpyrrolopyrimidinedibenzothiazepineorganic oxidepyrrolo[2,3-d]pyrimidinepiperazinearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundimidolactamtertiary aminediarylthioethervinylogous amideazacyclen-alkylpiperazineheteroaromatic compoundtertiary aliphatic amineorganic 1,3-dipolar compoundorganic oxygen compoundthioether1,4-diazinanepyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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