General Information of the Compound
| Compound ID |
CP0413518
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| Compound Name |
US9346798, 88
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| Structure |
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| Formula |
C24H22F3N5O3S
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| Molecular Weight |
517.533
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| Canonical SMILES |
FC(F)(F)c1ccc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2cnccn2)c(c1)C1=CCNCC1
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| InChI |
InChI=1S/C24H22F3N5O3S/c25-24(26,27)17-1-3-20(19(13-17)16-5-7-28-8-6-16)32-11-12-35-22-14-18(2-4-21(22)32)36(33,34)31-23-15-29-9-10-30-23/h1-5,9-10,13-15,28H,6-8,11-12H2,(H,30,31)
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| InChIKey |
BGUFQRBNZSKULL-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