General Information of the Compound
| Compound ID |
CP0447893
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| Compound Name |
N-methyl-1-oxido-4-[4-[[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridin-1-ium-2-carboxamide
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| Structure |
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| Formula |
C23H18F3N7O4
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| Molecular Weight |
513.436
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| Canonical SMILES |
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(ccc3-n3ccnn3)C(F)(F)F)cc2)cc[n+]1[O-]
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| InChI |
InChI=1S/C23H18F3N7O4/c1-27-21(34)20-13-17(8-10-33(20)36)37-16-5-3-15(4-6-16)29-22(35)30-18-12-14(23(24,25)26)2-7-19(18)32-11-9-28-31-32/h2-13H,1H3,(H,27,34)(H2,29,30,35)
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| InChIKey |
DSGIFPOYMGNIQG-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