General Information of the Compound
| Compound ID |
CP0398212
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| Compound Name |
5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-4-yl)ethyl]-N-propan-2-ylpyridin-2-amine
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| Structure |
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| Formula |
C23H23F4N3O3
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| Molecular Weight |
465.447
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| Canonical SMILES |
CC(C)Nc1ccc(cn1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1
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| InChI |
InChI=1S/C23H23F4N3O3/c1-14(2)29-21-6-4-17(13-28-21)18(11-15-7-9-30(31)10-8-15)16-3-5-19(32-22(24)25)20(12-16)33-23(26)27/h3-10,12-14,18,22-23H,11H2,1-2H3,(H,28,29)
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| InChIKey |
QTAWUHCBBXBDLA-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