General Information of the Compound
| Compound ID |
CP0561640
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| Compound Name |
US9452986, 58
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| Structure |
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| Formula |
C20H15F3N4O3
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| Molecular Weight |
416.359
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| Canonical SMILES |
FC(F)(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)N[C@H]2CNC(=O)C2)nc1
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| InChI |
InChI=1S/C20H15F3N4O3/c21-20(22,23)12-2-6-18(25-9-12)30-14-3-5-15-11(7-14)1-4-16(27-15)19(29)26-13-8-17(28)24-10-13/h1-7,9,13H,8,10H2,(H,24,28)(H,26,29)/t13-/m1/s1
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| InChIKey |
TYWFTAYZYIPPMH-CYBMUJFWSA-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