General Information of the Compound
| Compound ID |
CP0514965
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| Compound Name |
US9346798, 48
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| Structure |
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| Formula |
C22H22F3N5O4S
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| Molecular Weight |
509.51
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| Canonical SMILES |
COCCNc1cc(ccc1N1CCOc2cc(ccc12)S(=O)(=O)Nc1ccncn1)C(F)(F)F
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| InChI |
InChI=1S/C22H22F3N5O4S/c1-33-10-8-27-17-12-15(22(23,24)25)2-4-18(17)30-9-11-34-20-13-16(3-5-19(20)30)35(31,32)29-21-6-7-26-14-28-21/h2-7,12-14,27H,8-11H2,1H3,(H,26,28,29)
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| InChIKey |
YOKQMLPNCAPMBX-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