General Information of the Compound
| Compound ID |
CP0521568
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| Compound Name |
US9346798, 8
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| Structure |
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| Formula |
C18H15ClF3N5O3S2
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| Molecular Weight |
505.931
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| Canonical SMILES |
NCc1nsc(NS(=O)(=O)c2ccc3N(CCOc3c2)c2ccc(cc2Cl)C(F)(F)F)n1
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| InChI |
InChI=1S/C18H15ClF3N5O3S2/c19-12-7-10(18(20,21)22)1-3-13(12)27-5-6-30-15-8-11(2-4-14(15)27)32(28,29)26-17-24-16(9-23)25-31-17/h1-4,7-8H,5-6,9,23H2,(H,24,25,26)
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| InChIKey |
IIAJEEOXJXLMDF-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