General Information of the Compound
| Compound ID |
CP0491032
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| Compound Name |
US9051311, 56
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| Structure |
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| Formula |
C21H27N5O4S2
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| Molecular Weight |
477.612
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(=CC1)c1cccc2CN(CCc12)S(=O)(=O)Nc1ncns1
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| InChI |
InChI=1S/C21H27N5O4S2/c1-21(2,3)30-20(27)25-10-7-15(8-11-25)17-6-4-5-16-13-26(12-9-18(16)17)32(28,29)24-19-22-14-23-31-19/h4-7,14H,8-13H2,1-3H3,(H,22,23,24)
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| InChIKey |
ARXYLVKKDMSLPD-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