General Information of the Compound
| Compound ID |
CP0467507
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| Compound Name |
US9051311, 40
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| Structure |
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| Formula |
C24H25F4N5O2S2
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| Molecular Weight |
555.623
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| Canonical SMILES |
CN1CCN(CC1)c1cc(ccc1-c1cccc2CN(CCc12)S(=O)(=O)Nc1ncc(F)s1)C(F)(F)F
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| InChI |
InChI=1S/C24H25F4N5O2S2/c1-31-9-11-32(12-10-31)21-13-17(24(26,27)28)5-6-20(21)19-4-2-3-16-15-33(8-7-18(16)19)37(34,35)30-23-29-14-22(25)36-23/h2-6,13-14H,7-12,15H2,1H3,(H,29,30)
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| InChIKey |
JMHSSFSYBUYYML-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