General Information of the Compound
| Compound ID |
CP0478281
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| Compound Name |
US9346798, 210
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| Structure |
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| Formula |
C20H20ClN3O5S2
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| Molecular Weight |
481.983
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| Canonical SMILES |
OCC(O)Cc1cc(Cl)ccc1N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
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| InChI |
InChI=1S/C20H20ClN3O5S2/c21-14-1-3-17(13(9-14)10-15(26)12-25)24-6-7-29-19-11-16(2-4-18(19)24)31(27,28)23-20-22-5-8-30-20/h1-5,8-9,11,15,25-26H,6-7,10,12H2,(H,22,23)
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| InChIKey |
NBZFIESBMJFTOQ-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