| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:37 UTC |
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| Update Date | 2025-03-25 00:54:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02207228 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H10ClN5O |
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| Molecular Mass | 263.0574 |
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| SMILES | Nc1nc(=O)c2c([nH]1)Nc1ccc(Cl)cc1CN2 |
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| InChI Key | JVKKQOMZHWXXSK-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 | pyrimidodiazepines |
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| Subclass | pyrimidodiazepines |
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| Direct Parent | pyrimidodiazepines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,4-benzodiazepines1,4-diazepinesaryl chloridesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganochloridesorganooxygen compoundsorganopnictogen compoundsprimary aminespyrimidonessecondary alkylarylaminesvinylogous amides |
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| Substituents | organochloridepyrimidoneorganohalogen compoundpyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundpyrimidodiazepinearyl chloridevinylogous amideazacyclebenzodiazepineheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic aminearyl halide1,4-benzodiazepinepara-diazepineorganic oxygen compoundhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundamineorganooxygen compound |
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