| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:10 UTC |
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| Update Date | 2025-03-25 00:51:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02185695 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H11Cl2N5O |
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| Molecular Mass | 335.0341 |
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| SMILES | Nc1nc(=O)c2cc(CNc3ccc(Cl)c(Cl)c3)cnc2[nH]1 |
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| InChI Key | DHCAOCZOBVSSGO-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-halopyridinesaryl chloridesazacyclic compoundsdichlorobenzenesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganochloridesorganooxygen compoundsorganopnictogen compoundsphenylalkylaminespolyhalopyridinesprimary aminespyridines and derivativespyrimidonessecondary alkylarylaminesvinylogous amides |
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| Substituents | monocyclic benzene moietypolyhalopyridineorganochloridepyrimidoneorganohalogen compoundpyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound1,2-dichlorobenzene2-halopyridinearyl chloridechlorobenzenevinylogous amideazacycleheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic aminearyl halidepyridineorganic oxygen compoundpyrido[2,3-d]pyrimidinephenylalkylaminehydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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