General Information of the Compound
| Compound ID |
CP0512625
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| Compound Name |
US9012443, 528
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| Structure |
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| Formula |
C26H18F3N5O3S
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| Molecular Weight |
537.523
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| Canonical SMILES |
COc1cc(ccc1-c1ncnc2cc(ccc12)S(=O)(=O)Nc1ccncn1)-c1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C26H18F3N5O3S/c1-37-23-12-17(16-3-2-4-18(11-16)26(27,28)29)5-7-21(23)25-20-8-6-19(13-22(20)31-15-33-25)38(35,36)34-24-9-10-30-14-32-24/h2-15H,1H3,(H,30,32,34)
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| InChIKey |
WBJCKWKCKWGVEO-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