| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:48 UTC |
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| Update Date | 2025-03-25 00:59:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237377 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H20ClN3O |
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| Molecular Mass | 353.1295 |
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| SMILES | O=C(Cc1c[nH]c2ccccc12)N1CCN(c2ccc(Cl)cc2)CC1 |
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| InChI Key | SEJZFDLJZJZPPW-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 | amino acids and derivativesaniline and substituted anilinesaryl chloridesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativeschlorobenzenesdialkylarylaminesheteroaromatic compoundshydrocarbon derivativesindolesn-arylpiperazinesorganic oxidesorganochloridesorganopnictogen compoundspyrrolestertiary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupamino acid or derivativesindoleorganochloridecarboxylic acid derivativeorganohalogen compoundorganic oxidearomatic heteropolycyclic compoundtertiary aliphatic/aromatic aminetertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compounddialkylarylaminetertiary aminearyl chloridechlorobenzeneazacycleaniline or substituted anilinesheteroaromatic compoundindole or derivativescarboxamide grouparyl halidephenylpiperazineorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneaminen-arylpiperazineorganooxygen compound |
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