| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:21 UTC |
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| Update Date | 2025-03-25 00:53:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02199781 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H16ClN3 |
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| Molecular Mass | 297.1033 |
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| SMILES | Clc1ccc2c(c1)CCc1cccnc1C2=C1NCCN1 |
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| InChI Key | PHWUTOQYNMDYQY-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 compoundsbenzenoidsdialkylaminesheteroaromatic compoundshydrocarbon derivativesimidazolidinesorganochloridesorganopnictogen compoundspolyhalopyridinespyridines and derivatives |
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| Substituents | aryl chlorideimidazolidinesecondary aliphatic amineazacyclepolyhalopyridineorganochlorideheteroaromatic compoundsecondary amineorganohalogen compoundaryl halidepyridinearomatic heteropolycyclic compoundbenzocycloheptapyridineorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoid2-halopyridineorganic nitrogen compoundamine |
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