General Information of the Compound
| Compound ID |
CP0402714
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| Compound Name |
US9346798, 6
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| Structure |
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| Formula |
C27H28F3N5O5S2
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| Molecular Weight |
623.679
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(=CC1)c1cc(ccc1N1CCOc2cc(ccc12)S(=O)(=O)Nc1ncns1)C(F)(F)F
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| InChI |
InChI=1S/C27H28F3N5O5S2/c1-26(2,3)40-25(36)34-10-8-17(9-11-34)20-14-18(27(28,29)30)4-6-21(20)35-12-13-39-23-15-19(5-7-22(23)35)42(37,38)33-24-31-16-32-41-24/h4-8,14-16H,9-13H2,1-3H3,(H,31,32,33)
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| InChIKey |
ASWGBGOZLVLEKP-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