General Information of the Compound
| Compound ID |
CP0530219
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| Compound Name |
5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-4-yl)ethyl]-N-[2-(4-methylphenyl)ethyl]pyridin-2-amine
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| Structure |
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| Formula |
C29H27F4N3O3
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| Molecular Weight |
541.545
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| Canonical SMILES |
Cc1ccc(CCNc2ccc(cn2)C(Cc2cc[n+]([O-])cc2)c2ccc(OC(F)F)c(OC(F)F)c2)cc1
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| InChI |
InChI=1S/C29H27F4N3O3/c1-19-2-4-20(5-3-19)10-13-34-27-9-7-23(18-35-27)24(16-21-11-14-36(37)15-12-21)22-6-8-25(38-28(30)31)26(17-22)39-29(32)33/h2-9,11-12,14-15,17-18,24,28-29H,10,13,16H2,1H3,(H,34,35)
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| InChIKey |
WPJSVTWGBMKFBF-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