General Information of the Compound
| Compound ID |
CP0385067
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| Compound Name |
US9051311, 61
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| Structure |
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| Formula |
C24H20F2N4O3S2
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| Molecular Weight |
514.579
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| Canonical SMILES |
COc1cc(ccc1-c1cccc2CN(CCc12)S(=O)(=O)Nc1nncs1)-c1ccc(F)c(F)c1
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| InChI |
InChI=1S/C24H20F2N4O3S2/c1-33-23-12-16(15-6-8-21(25)22(26)11-15)5-7-20(23)19-4-2-3-17-13-30(10-9-18(17)19)35(31,32)29-24-28-27-14-34-24/h2-8,11-12,14H,9-10,13H2,1H3,(H,28,29)
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| InChIKey |
DRFLHOUHDJPQKF-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