General Information of the Compound
| Compound ID |
CP0550785
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| Compound Name |
US8952169, 147
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| Structure |
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| Formula |
C25H33FN2O5S
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| Molecular Weight |
492.613
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| Canonical SMILES |
O[C@H]1CCN(C1)S(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F
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| InChI |
InChI=1S/C25H33FN2O5S/c26-22-9-23(33-14-25-10-15-5-16(11-25)7-17(6-15)12-25)20(18-1-2-18)8-21(22)24(30)27-34(31,32)28-4-3-19(29)13-28/h8-9,15-19,29H,1-7,10-14H2,(H,27,30)/t15?,16?,17?,19-,25?/m0/s1
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| InChIKey |
IMUKSSQOUCDNFP-JWDGYQHVSA-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