General Information of the Compound
| Compound ID |
CP0288383
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| Compound Name |
3-(2,6-dichlorophenyl)-5-isopropyl-4-((4-methyl-5-nitropyridin-2-yloxy)methyl)isoxazole
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| Structure |
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| Formula |
C19H17Cl2N3O4
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| Molecular Weight |
422.268
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| Canonical SMILES |
CC(C)c1[o+][n-]c(c1COc1cc(C)c(cn1)[N+]([O-])=O)-c1c(Cl)cccc1Cl
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| InChI |
InChI=1S/C19H17Cl2N3O4/c1-10(2)19-12(9-27-16-7-11(3)15(8-22-16)24(25)26)18(23-28-19)17-13(20)5-4-6-14(17)21/h4-8,10H,9H2,1-3H3
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| InChIKey |
GCUIBYDUKQGFPK-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