General Information of the Compound
| Compound ID |
CP0422554
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| Compound Name |
US8952169, 168
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| Structure |
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| Formula |
C24H33FN2O5S
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| Molecular Weight |
480.602
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| Canonical SMILES |
OCCCNS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F
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| InChI |
InChI=1S/C24H33FN2O5S/c25-21-10-22(32-14-24-11-15-6-16(12-24)8-17(7-15)13-24)19(18-2-3-18)9-20(21)23(29)27-33(30,31)26-4-1-5-28/h9-10,15-18,26,28H,1-8,11-14H2,(H,27,29)
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| InChIKey |
GHTDSDKXPCEXRT-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