General Information of the Compound
| Compound ID |
CP0541440
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| Compound Name |
US8952169, 57
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| Structure |
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| Formula |
C22H24ClFN2O5S
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| Molecular Weight |
482.961
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| Canonical SMILES |
CC1(C)CCc2cc(OCc3cc(F)c(cc3Cl)C(=O)NS(=O)(=O)N3CCC3)ccc2O1
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| InChI |
InChI=1S/C22H24ClFN2O5S/c1-22(2)7-6-14-10-16(4-5-20(14)31-22)30-13-15-11-19(24)17(12-18(15)23)21(27)25-32(28,29)26-8-3-9-26/h4-5,10-12H,3,6-9,13H2,1-2H3,(H,25,27)
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| InChIKey |
BTKIGPLGDZHMLE-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