General Information of the Compound
| Compound ID |
CP0483849
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| Compound Name |
US9012443, 349
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| Structure |
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| Formula |
C27H19F3N4O3S
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| Molecular Weight |
536.535
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| Canonical SMILES |
COc1ccc(cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1)-c1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C27H19F3N4O3S/c1-37-24-8-5-18(17-3-2-4-20(13-17)27(28,29)30)15-23(24)26-22-7-6-21(14-19(22)9-12-32-26)38(35,36)34-25-10-11-31-16-33-25/h2-16H,1H3,(H,31,33,34)
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| InChIKey |
WDKBXQZMGZDSKW-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