General Information of the Compound
| Compound ID |
CP0501354
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| Compound Name |
3-[2-(4-bromo-2-chlorophenoxy)ethoxy]-6-methyl-2-nitropyridine
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| Structure |
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| Formula |
C14H12BrClN2O4
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| Molecular Weight |
387.617
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| Canonical SMILES |
Cc1ccc(OCCOc2ccc(Br)cc2Cl)c(n1)[N+]([O-])=O
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| InChI |
InChI=1S/C14H12BrClN2O4/c1-9-2-4-13(14(17-9)18(19)20)22-7-6-21-12-5-3-10(15)8-11(12)16/h2-5,8H,6-7H2,1H3
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| InChIKey |
BBFSWXUPRHQKDN-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