General Information of the Compound
| Compound ID |
CP0512959
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| Compound Name |
US9452986, 23
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| Structure |
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| Formula |
C22H18F5N3O2
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| Molecular Weight |
451.395
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| Canonical SMILES |
FC(F)(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)NC2CCC(F)(F)CC2)nc1
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| InChI |
InChI=1S/C22H18F5N3O2/c23-21(24)9-7-15(8-10-21)29-20(31)18-4-1-13-11-16(3-5-17(13)30-18)32-19-6-2-14(12-28-19)22(25,26)27/h1-6,11-12,15H,7-10H2,(H,29,31)
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| InChIKey |
SAUOJOMRGBOYGI-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