General Information of the Compound
| Compound ID |
CP0470229
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| Compound Name |
US9346798, 149
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| Structure |
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| Formula |
C22H23N3O4S2
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| Molecular Weight |
457.577
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| Canonical SMILES |
O=S(=O)(Nc1nccs1)c1ccc2N(CCOc2c1)c1ccccc1C1CCOCC1
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| InChI |
InChI=1S/C22H23N3O4S2/c26-31(27,24-22-23-9-14-30-22)17-5-6-20-21(15-17)29-13-10-25(20)19-4-2-1-3-18(19)16-7-11-28-12-8-16/h1-6,9,14-16H,7-8,10-13H2,(H,23,24)
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| InChIKey |
NLIZQKLZXHHDPX-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