General Information of the Compound
| Compound ID |
CP0528410
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| Compound Name |
[4-[1-[3,4-bis(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-4-yl)ethyl]phenyl]-(5-methylpyridin-2-yl)methanone
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| Structure |
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| Formula |
C28H22F4N2O4
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| Molecular Weight |
526.486
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| Canonical SMILES |
Cc1ccc(nc1)C(=O)c1ccc(cc1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1
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| InChI |
InChI=1S/C28H22F4N2O4/c1-17-2-8-23(33-16-17)26(35)20-5-3-19(4-6-20)22(14-18-10-12-34(36)13-11-18)21-7-9-24(37-27(29)30)25(15-21)38-28(31)32/h2-13,15-16,22,27-28H,14H2,1H3
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| InChIKey |
ONHWYOXYXVKPFJ-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