General Information of the Compound
| Compound ID |
CP0417292
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| Compound Name |
US9051311, 5
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| Structure |
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| Formula |
C28H30F3N5O4S2
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| Molecular Weight |
621.707
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(=CC1)c1cc(ccc1-c1cccc2CN(CCc12)S(=O)(=O)Nc1ncns1)C(F)(F)F
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| InChI |
InChI=1S/C28H30F3N5O4S2/c1-27(2,3)40-26(37)35-12-9-18(10-13-35)24-15-20(28(29,30)31)7-8-23(24)22-6-4-5-19-16-36(14-11-21(19)22)42(38,39)34-25-32-17-33-41-25/h4-9,15,17H,10-14,16H2,1-3H3,(H,32,33,34)
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| InChIKey |
SDNRGNTWXJZKMN-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