General Information of the Compound
| Compound ID |
CP0491614
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| Compound Name |
US9346798, 168
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| Structure |
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| Formula |
C21H23N3O3S2
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| Molecular Weight |
429.567
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| Canonical SMILES |
CC(C)c1ccc(C)cc1N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
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| InChI |
InChI=1S/C21H23N3O3S2/c1-14(2)17-6-4-15(3)12-19(17)24-9-10-27-20-13-16(5-7-18(20)24)29(25,26)23-21-22-8-11-28-21/h4-8,11-14H,9-10H2,1-3H3,(H,22,23)
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| InChIKey |
BWIJRPIRWUTHTB-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