General Information of the Compound
| Compound ID |
CP0396426
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| Compound Name |
US8952169, 8
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| Structure |
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| Formula |
C18H23ClFNO4S
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| Molecular Weight |
403.903
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| Canonical SMILES |
CC1(C)[C@@H]2C[C@H]1[C@@H](COc1cc(F)c(cc1Cl)C(=O)NS(C)(=O)=O)CC2
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| InChI |
InChI=1S/C18H23ClFNO4S/c1-18(2)11-5-4-10(13(18)6-11)9-25-16-8-15(20)12(7-14(16)19)17(22)21-26(3,23)24/h7-8,10-11,13H,4-6,9H2,1-3H3,(H,21,22)/t10-,11+,13+/m1/s1
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| InChIKey |
PFDGMDBCUUBXKJ-MDZLAQPJSA-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