General Information of the Compound
| Compound ID |
CP0528911
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| Compound Name |
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-1-oxido-4-phenylpyridin-1-ium-3-carboxamide
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| Structure |
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| Formula |
C22H16F6N2O2
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| Molecular Weight |
454.37
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| Canonical SMILES |
Cc1c(C(=O)NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c(cc[n+]1[O-])-c1ccccc1
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| InChI |
InChI=1S/C22H16F6N2O2/c1-13-19(18(7-8-30(13)32)15-5-3-2-4-6-15)20(31)29-12-14-9-16(21(23,24)25)11-17(10-14)22(26,27)28/h2-11H,12H2,1H3,(H,29,31)
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| InChIKey |
KSKCQNQJZYGBIZ-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