General Information of the Compound
| Compound ID |
CP0406911
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| Compound Name |
US9346798, 143
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| Structure |
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| Formula |
C17H17N5O5S2
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| Molecular Weight |
435.487
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| Canonical SMILES |
COc1cnc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2nccs2)c(OC)n1
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| InChI |
InChI=1S/C17H17N5O5S2/c1-25-14-10-19-15(16(20-14)26-2)22-6-7-27-13-9-11(3-4-12(13)22)29(23,24)21-17-18-5-8-28-17/h3-5,8-10H,6-7H2,1-2H3,(H,18,21)
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| InChIKey |
GCOUREDAMVQUNP-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