General Information of the Compound
| Compound ID |
CP0524117
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| Compound Name |
5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-4-yl)ethyl]-N-methyl-N-(naphthalen-2-ylmethyl)pyridin-2-amine
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| Structure |
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| Formula |
C32H27F4N3O3
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| Molecular Weight |
577.578
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| Canonical SMILES |
CN(Cc1ccc2ccccc2c1)c1ccc(cn1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1
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| InChI |
InChI=1S/C32H27F4N3O3/c1-38(20-22-6-7-23-4-2-3-5-24(23)16-22)30-11-9-26(19-37-30)27(17-21-12-14-39(40)15-13-21)25-8-10-28(41-31(33)34)29(18-25)42-32(35)36/h2-16,18-19,27,31-32H,17,20H2,1H3
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| InChIKey |
WUFNRPZFAQJKKI-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