General Information of the Compound
| Compound ID |
CP0420636
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| Compound Name |
US9051311, 53
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| Structure |
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| Formula |
C24H23ClF2N4O2S2
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| Molecular Weight |
537.057
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| Canonical SMILES |
CN1CCC(=CC1)c1cc(Cl)cc(F)c1-c1cccc2CN(CCc12)S(=O)(=O)Nc1ncc(F)s1
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| InChI |
InChI=1S/C24H23ClF2N4O2S2/c1-30-8-5-15(6-9-30)20-11-17(25)12-21(26)23(20)19-4-2-3-16-14-31(10-7-18(16)19)35(32,33)29-24-28-13-22(27)34-24/h2-5,11-13H,6-10,14H2,1H3,(H,28,29)
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| InChIKey |
VCEBSQCVPRYCRI-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