| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:02 UTC |
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| Update Date | 2025-03-25 00:47:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160278 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H19ClN6O |
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| Molecular Mass | 358.1309 |
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| SMILES | Nc1nc(=O)c2c(CN3CCN(c4ccc(Cl)cc4)CC3)c[nH]c2[nH]1 |
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| InChI Key | IBSQRMIJEQCWQM-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 | diazinanes |
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| Subclass | piperazines |
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| Direct Parent | phenylpiperazines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aniline and substituted anilinesaralkylaminesaryl chloridesazacyclic compoundschlorobenzenesdialkylarylaminesheteroaromatic compoundshydrocarbon derivativesn-alkylpiperazinesn-arylpiperazinesorganic oxidesorganochloridesorganooxygen compoundsorganopnictogen compoundsprimary aminespyrimidonespyrrolespyrrolo[2,3-d]pyrimidinestrialkylaminesvinylogous amides |
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| Substituents | monocyclic benzene moietyorganochloridepyrimidoneorganohalogen compoundaralkylaminepyrimidinepyrrolopyrimidineorganic oxidepyrrolo[2,3-d]pyrimidinearomatic heteropolycyclic compoundtertiary aliphatic/aromatic amineorganonitrogen compoundorganopnictogen compounddialkylarylaminetertiary aminearyl chloridechlorobenzenevinylogous amideazacycleaniline or substituted anilinesn-alkylpiperazineheteroaromatic compoundtertiary aliphatic aminearyl halidephenylpiperazineorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundhalobenzeneaminen-arylpiperazineorganooxygen compound |
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