| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:17 UTC |
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| Update Date | 2025-03-25 00:49:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02172246 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C24H28ClN3 |
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| Molecular Mass | 393.1972 |
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| SMILES | CN1CCN(CCCC2c3ccc(Cl)cc3CCc3cc(C#N)ccc32)CC1 |
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| InChI Key | LIBQAIUXTYEXSS-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | dibenzocycloheptenes |
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| Subclass | dibenzocycloheptenes |
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| Direct Parent | dibenzocycloheptenes |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aryl chloridesazacyclic compoundshydrocarbon derivativesn-methylpiperazinesnitrilesorganochloridesorganopnictogen compoundstrialkylamines |
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| Substituents | aryl chloridenitrileazacycleorganochloriden-alkylpiperazinetertiary aliphatic aminen-methylpiperazineorganohalogen compounddibenzocycloheptenearyl halidepiperazinearomatic heteropolycyclic compound1,4-diazinaneorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundaminecarbonitriletertiary amineorganoheterocyclic compound |
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