General Information of the Compound
| Compound ID |
CP0401294
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| Compound Name |
US9079902, 3
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| Structure |
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| Formula |
C24H21F3N6O2S2
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| Molecular Weight |
546.6
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| Canonical SMILES |
CC(C)n1cc(-c2ccc(cc2-c2ccnn2C)C(F)(F)F)c2ccc(cc12)S(=O)(=O)Nc1ncns1
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| InChI |
InChI=1S/C24H21F3N6O2S2/c1-14(2)33-12-20(17-6-4-15(24(25,26)27)10-19(17)21-8-9-29-32(21)3)18-7-5-16(11-22(18)33)37(34,35)31-23-28-13-30-36-23/h4-14H,1-3H3,(H,28,30,31)
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| InChIKey |
FBRGUJAWTRRULB-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