General Information of the Compound
| Compound ID |
CP0465762
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| Compound Name |
3-[2-[4-bromo-2-(trifluoromethyl)phenoxy]ethoxy]-6-methyl-2-nitropyridine
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| Structure |
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| Formula |
C15H12BrF3N2O4
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| Molecular Weight |
421.169
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| Canonical SMILES |
Cc1ccc(OCCOc2ccc(Br)cc2C(F)(F)F)c(n1)[N+]([O-])=O
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| InChI |
InChI=1S/C15H12BrF3N2O4/c1-9-2-4-13(14(20-9)21(22)23)25-7-6-24-12-5-3-10(16)8-11(12)15(17,18)19/h2-5,8H,6-7H2,1H3
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| InChIKey |
JERCGDSEVKGARJ-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