General Information of the Compound
| Compound ID |
CP0519853
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| Compound Name |
US9051311, 59
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| Structure |
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| Formula |
C18H15F4N5O3S2
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| Molecular Weight |
489.476
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| Canonical SMILES |
COc1cc(ccc1-c1ncnc2CN(CCc12)S(=O)(=O)Nc1ncc(F)s1)C(F)(F)F
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| InChI |
InChI=1S/C18H15F4N5O3S2/c1-30-14-6-10(18(20,21)22)2-3-12(14)16-11-4-5-27(8-13(11)24-9-25-16)32(28,29)26-17-23-7-15(19)31-17/h2-3,6-7,9H,4-5,8H2,1H3,(H,23,26)
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| InChIKey |
XEOCNZBBZFBCME-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