General Information of the Compound
| Compound ID |
CP0483036
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| Compound Name |
US9346798, 14
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| Structure |
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| Formula |
C22H23ClF3N5O3S
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| Molecular Weight |
529.972
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| Canonical SMILES |
CN(C)CCn1ccc(NS(=O)(=O)c2ccc3N(CCOc3c2)c2ccc(cc2Cl)C(F)(F)F)n1
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| InChI |
InChI=1S/C22H23ClF3N5O3S/c1-29(2)9-10-30-8-7-21(27-30)28-35(32,33)16-4-6-19-20(14-16)34-12-11-31(19)18-5-3-15(13-17(18)23)22(24,25)26/h3-8,13-14H,9-12H2,1-2H3,(H,27,28)
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| InChIKey |
JJLSSXDRZXKYRS-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