General Information of the Compound
| Compound ID |
CP0472510
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| Compound Name |
US9051311, 57
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| Structure |
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| Formula |
C25H29N5O4S2
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| Molecular Weight |
527.672
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCc2c(C1)cccc2-c1cccc2CN(CCc12)S(=O)(=O)Nc1ncns1
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| InChI |
InChI=1S/C25H29N5O4S2/c1-25(2,3)34-24(31)29-12-10-19-17(14-29)6-4-8-21(19)22-9-5-7-18-15-30(13-11-20(18)22)36(32,33)28-23-26-16-27-35-23/h4-9,16H,10-15H2,1-3H3,(H,26,27,28)
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| InChIKey |
GRINVLHXNQJTKP-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