General Information of the Compound
| Compound ID |
CP0406958
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| Compound Name |
US8952169, 283
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| Formula |
C23H28ClFN2O4S
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| Molecular Weight |
483.005
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| Canonical SMILES |
Fc1cc(O[C@H]2C3CC4CC2C[C@](Cl)(C4)C3)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1
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| InChI |
InChI=1S/C23H28ClFN2O4S/c24-23-10-13-6-15(11-23)21(16(7-13)12-23)31-20-9-19(25)18(8-17(20)14-2-3-14)22(28)26-32(29,30)27-4-1-5-27/h8-9,13-16,21H,1-7,10-12H2,(H,26,28)/t13?,15?,16?,21-,23-
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| InChIKey |
QHMLHLDDXYHXGR-DKHVBLOVSA-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