General Information of the Compound
| Compound ID |
CP0448941
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| Compound Name |
N-[5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-4-yl)ethyl]pyridin-2-yl]benzenesulfonamide
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| Structure |
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| Formula |
C26H21F4N3O5S
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| Molecular Weight |
563.529
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| Canonical SMILES |
[O-][n+]1ccc(CC(c2ccc(NS(=O)(=O)c3ccccc3)nc2)c2ccc(OC(F)F)c(OC(F)F)c2)cc1
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| InChI |
InChI=1S/C26H21F4N3O5S/c27-25(28)37-22-8-6-18(15-23(22)38-26(29)30)21(14-17-10-12-33(34)13-11-17)19-7-9-24(31-16-19)32-39(35,36)20-4-2-1-3-5-20/h1-13,15-16,21,25-26H,14H2,(H,31,32)
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| InChIKey |
MHHVHHXUMOLHOJ-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