| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:02 UTC |
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| Update Date | 2025-03-25 00:47:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160251 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H12N6 |
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| Molecular Mass | 252.1123 |
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| SMILES | Nc1nc(N)c2c(N)cc(-c3ccccc3)nc2n1 |
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| InChI Key | CMNSNBGVWKHQPC-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 | pyridopyrimidines |
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| Subclass | pyrido[2,3-d]pyrimidines |
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| Direct Parent | pyrido[2,3-d]pyrimidines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundsbenzene and substituted derivativesheteroaromatic compoundshydrocarbon derivativesimidolactamsorganopnictogen compoundspolyhalopyridinesprimary aminespyridines and derivativespyrimidines and pyrimidine derivatives |
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| Substituents | monocyclic benzene moietyazacyclepolyhalopyridineheteroaromatic compoundpyrimidinepyridinepyrido[2,3-d]pyrimidinearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidprimary amine2-halopyridineorganic nitrogen compoundimidolactamamine |
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