General Information of the Compound
| Compound ID |
CP0527357
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| Compound Name |
US9346798, 51
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| Structure |
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| Formula |
C25H24F3N5O3S
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| Molecular Weight |
531.56
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| Canonical SMILES |
CN1CCC(=CC1)c1cc(ccc1N1CCOc2cc(ccc12)S(=O)(=O)Nc1ccncn1)C(F)(F)F
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| InChI |
InChI=1S/C25H24F3N5O3S/c1-32-10-7-17(8-11-32)20-14-18(25(26,27)28)2-4-21(20)33-12-13-36-23-15-19(3-5-22(23)33)37(34,35)31-24-6-9-29-16-30-24/h2-7,9,14-16H,8,10-13H2,1H3,(H,29,30,31)
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| InChIKey |
VRWOEUUAURVITI-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