General Information of the Compound
| Compound ID |
CP0467453
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| Compound Name |
3-[2-(3-chloro-5-nitrophenoxy)ethoxy]-6-methyl-2-nitropyridine
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| Structure |
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| Formula |
C14H12ClN3O6
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| Molecular Weight |
353.718
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| Canonical SMILES |
Cc1ccc(OCCOc2cc(Cl)cc(c2)[N+]([O-])=O)c(n1)[N+]([O-])=O
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| InChI |
InChI=1S/C14H12ClN3O6/c1-9-2-3-13(14(16-9)18(21)22)24-5-4-23-12-7-10(15)6-11(8-12)17(19)20/h2-3,6-8H,4-5H2,1H3
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| InChIKey |
UWDQHKIIIVATOT-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound