General Information of the Compound
| Compound ID |
CP0515514
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| Compound Name |
US9346798, 202
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| Structure |
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| Formula |
C21H20N4O3S2
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| Molecular Weight |
440.55
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| Canonical SMILES |
CC(C)c1ccc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2nccs2)c(c1)C#N
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| InChI |
InChI=1S/C21H20N4O3S2/c1-14(2)15-3-5-18(16(11-15)13-22)25-8-9-28-20-12-17(4-6-19(20)25)30(26,27)24-21-23-7-10-29-21/h3-7,10-12,14H,8-9H2,1-2H3,(H,23,24)
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| InChIKey |
LEZRONYAEVJQQI-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