General Information of the Compound
| Compound ID |
CP0425059
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| Compound Name |
6-methyl-2-nitro-3-[2-(2,4,6-trichlorophenoxy)ethoxy]pyridine
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| Structure |
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| Formula |
C14H11Cl3N2O4
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| Molecular Weight |
377.611
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| Canonical SMILES |
Cc1ccc(OCCOc2c(Cl)cc(Cl)cc2Cl)c(n1)[N+]([O-])=O
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| InChI |
InChI=1S/C14H11Cl3N2O4/c1-8-2-3-12(14(18-8)19(20)21)22-4-5-23-13-10(16)6-9(15)7-11(13)17/h2-3,6-7H,4-5H2,1H3
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| InChIKey |
CLAHWMCGEBXKHS-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