General Information of the Compound
| Compound ID |
CP0475535
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| Compound Name |
US9051311, 19
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| Structure |
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| Formula |
C24H20F3N5O3S2
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| Molecular Weight |
547.584
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| Canonical SMILES |
COc1cncc(c1)-c1cc(ccc1-c1cccc2CN(CCc12)S(=O)(=O)Nc1ncns1)C(F)(F)F
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| InChI |
InChI=1S/C24H20F3N5O3S2/c1-35-18-9-16(11-28-12-18)22-10-17(24(25,26)27)5-6-21(22)20-4-2-3-15-13-32(8-7-19(15)20)37(33,34)31-23-29-14-30-36-23/h2-6,9-12,14H,7-8,13H2,1H3,(H,29,30,31)
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| InChIKey |
BCQVFSKMBDJDOF-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