General Information of the Compound
| Compound ID |
CP0514966
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| Compound Name |
US9346798, 211
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| Structure |
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| Formula |
C20H18F3N3O4S2
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| Molecular Weight |
485.509
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| Canonical SMILES |
OCCc1cc(ccc1N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1)C(F)(F)F
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| InChI |
InChI=1S/C20H18F3N3O4S2/c21-20(22,23)14-1-3-16(13(11-14)5-8-27)26-7-9-30-18-12-15(2-4-17(18)26)32(28,29)25-19-24-6-10-31-19/h1-4,6,10-12,27H,5,7-9H2,(H,24,25)
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| InChIKey |
IXDCXFJUPLJBMC-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