General Information of the Compound
| Compound ID |
CP0486555
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| Compound Name |
US9051311, 44
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| Structure |
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| Formula |
C21H22N4O3S2
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| Molecular Weight |
442.566
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| Canonical SMILES |
COc1cc(ccc1-c1cccc2CN(CCc12)S(=O)(=O)Nc1ncns1)C1CC1
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| InChI |
InChI=1S/C21H22N4O3S2/c1-28-20-11-15(14-5-6-14)7-8-19(20)18-4-2-3-16-12-25(10-9-17(16)18)30(26,27)24-21-22-13-23-29-21/h2-4,7-8,11,13-14H,5-6,9-10,12H2,1H3,(H,22,23,24)
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| InChIKey |
VBSMEKFDFDLZEP-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