| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:44:57 UTC |
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| Update Date | 2025-03-21 18:00:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00026563 |
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| Frequency | 143.8 |
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| Structure | |
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| Chemical Formula | C20H21ClN4 |
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| Molecular Mass | 352.1455 |
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| SMILES | N=C(N)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 |
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| InChI Key | CFAKWPIOHFGVNJ-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 | benzocycloheptapyridines |
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| Subclass | benzocycloheptapyridines |
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| Direct Parent | benzocycloheptapyridines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesaryl chloridesazacyclic compoundsbenzenoidscarboximidamidesguanidinesheteroaromatic compoundshydrocarbon derivativesiminesorganochloridesorganopnictogen compoundspiperidinespolyhalopyridinespyridines and derivatives |
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| Substituents | aryl chlorideazacycleguanidineiminepolyhalopyridineorganochlorideheteroaromatic compoundcarboximidamideorganohalogen compoundaryl halidepyridinearomatic heteropolycyclic compoundbenzocycloheptapyridineorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoid2-halopyridineorganic nitrogen compoundpiperidine |
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