General Information of the Compound
| Compound ID |
CP0463401
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| Compound Name |
US9012443, 338
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| Structure |
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| Formula |
C25H15F2N5O3S2
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| Molecular Weight |
535.557
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| Canonical SMILES |
COc1cc(-c2cc(F)cc(F)c2)c(cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1nncs1)C#N
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| InChI |
InChI=1S/C25H15F2N5O3S2/c1-35-23-11-21(15-6-17(26)10-18(27)7-15)16(12-28)9-22(23)24-20-3-2-19(8-14(20)4-5-29-24)37(33,34)32-25-31-30-13-36-25/h2-11,13H,1H3,(H,31,32)
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| InChIKey |
DLTMFDULXWYIMY-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