General Information of the Compound
| Compound ID |
CP0512963
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| Compound Name |
US9452986, 29
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| Structure |
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| Formula |
C20H16F3N3O4S
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| Molecular Weight |
451.426
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| Canonical SMILES |
CS(=O)(=O)C1CN(C1)C(=O)c1ccc2cc(Oc3ccc(cn3)C(F)(F)F)ccc2n1
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| InChI |
InChI=1S/C20H16F3N3O4S/c1-31(28,29)15-10-26(11-15)19(27)17-5-2-12-8-14(4-6-16(12)25-17)30-18-7-3-13(9-24-18)20(21,22)23/h2-9,15H,10-11H2,1H3
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| InChIKey |
XYCSIKBESLTOLI-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