General Information of the Compound
| Compound ID |
CP0535948
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| Compound Name |
US9452986, 623
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| Structure |
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| Formula |
C23H20F3N3O3
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| Molecular Weight |
443.425
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| Canonical SMILES |
FC(F)(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)N2CC3(C2)CCOCC3)nc1
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| InChI |
InChI=1S/C23H20F3N3O3/c24-23(25,26)16-2-6-20(27-12-16)32-17-3-5-18-15(11-17)1-4-19(28-18)21(30)29-13-22(14-29)7-9-31-10-8-22/h1-6,11-12H,7-10,13-14H2
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| InChIKey |
ISOYQSLZJHYDLG-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: PT02752, Sodium channel protein type 10 subunit alpha
Protein ID: PT01000, Sodium channel protein type 9 subunit alpha