| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:56:44 UTC |
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| Update Date | 2025-03-25 00:52:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02193758 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C25H24FN3 |
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| Molecular Mass | 385.1954 |
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| SMILES | CN(C)CCCC1(c2ccc(F)cc2)c2ccc(C#N)cc2Cc2cccnc21 |
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| InChI Key | XQUCAIHCZYDDBZ-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 | quinolines and derivatives |
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| Subclass | phenylquinolines |
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| Direct Parent | phenylquinolines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesaryl fluoridesazacyclic compoundsbenzoquinolinesfluorobenzenesheteroaromatic compoundshydrocarbon derivativesmethylpyridinesnaphthalenesnitrilesorganofluoridesorganopnictogen compoundsphenylbutylaminespolyhalopyridinestrialkylamines |
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| Substituents | aryl fluoridemonocyclic benzene moietynitrilephenylquinolinepolyhalopyridineorganohalogen compoundfluorobenzenephenylbutylaminearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridinecarbonitriletertiary amineazacycleorganofluorideheteroaromatic compoundtertiary aliphatic aminemethylpyridinebenzoquinolinearyl halidepyridinenaphthalenehydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneamine |
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