General Information of the Compound
| Compound ID |
CP0531096
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| Compound Name |
US9346798, 17
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| Structure |
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| Formula |
C20H14ClF4N3O3S
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| Molecular Weight |
487.862
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| Canonical SMILES |
Fc1ccc(NS(=O)(=O)c2ccc3N(CCOc3c2)c2ccc(cc2Cl)C(F)(F)F)nc1
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| InChI |
InChI=1S/C20H14ClF4N3O3S/c21-15-9-12(20(23,24)25)1-4-16(15)28-7-8-31-18-10-14(3-5-17(18)28)32(29,30)27-19-6-2-13(22)11-26-19/h1-6,9-11H,7-8H2,(H,26,27)
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| InChIKey |
JHEMIMBKLMGNNQ-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