General Information of the Compound
| Compound ID |
CP0402979
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| Compound Name |
US9051311, 17
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| Structure |
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| Formula |
C23H19F3N6O2S2
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| Molecular Weight |
532.573
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| Canonical SMILES |
Nc1cc(ccn1)-c1cc(ccc1-c1cccc2CN(CCc12)S(=O)(=O)Nc1ncns1)C(F)(F)F
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| InChI |
InChI=1S/C23H19F3N6O2S2/c24-23(25,26)16-4-5-19(20(11-16)14-6-8-28-21(27)10-14)18-3-1-2-15-12-32(9-7-17(15)18)36(33,34)31-22-29-13-30-35-22/h1-6,8,10-11,13H,7,9,12H2,(H2,27,28)(H,29,30,31)
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| InChIKey |
UXDKRIMJVOAFTM-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