General Information of the Compound
| Compound ID |
CP0478700
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| Compound Name |
US9212182, 981
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| Structure |
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| Formula |
C26H18F3N3O5S
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| Molecular Weight |
541.507
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| Canonical SMILES |
COc1cc(c(F)cc1-n1c2cc(F)c(cc2ccc1=O)S(=O)(=O)Nc1ccon1)-c1ccc(F)c(C)c1
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| InChI |
InChI=1S/C26H18F3N3O5S/c1-14-9-15(3-5-18(14)27)17-11-23(36-2)22(12-19(17)28)32-21-13-20(29)24(10-16(21)4-6-26(32)33)38(34,35)31-25-7-8-37-30-25/h3-13H,1-2H3,(H,30,31)
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| InChIKey |
TVPPCCLUHPATAW-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
Protein ID: PT01105, Sodium channel protein type 5 subunit alpha
Protein ID: PT01000, Sodium channel protein type 9 subunit alpha