General Information of the Compound
| Compound ID |
CP0434790
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| Compound Name |
US9051311, 20
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| Structure |
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| Formula |
C24H20F3N5O2S2
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| Molecular Weight |
531.585
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| Canonical SMILES |
Cc1cncc(c1)-c1cc(ccc1-c1cccc2CN(CCc12)S(=O)(=O)Nc1ncns1)C(F)(F)F
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| InChI |
InChI=1S/C24H20F3N5O2S2/c1-15-9-17(12-28-11-15)22-10-18(24(25,26)27)5-6-21(22)20-4-2-3-16-13-32(8-7-19(16)20)36(33,34)31-23-29-14-30-35-23/h2-6,9-12,14H,7-8,13H2,1H3,(H,29,30,31)
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| InChIKey |
GPYGSEBKBAYKTK-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