General Information of the Compound
| Compound ID |
CP0519175
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| Compound Name |
US9452986, 10
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| Structure |
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| Formula |
C20H16F3N3O2
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| Molecular Weight |
387.361
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| Canonical SMILES |
FC(F)(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)N2CCCC2)nc1
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| InChI |
InChI=1S/C20H16F3N3O2/c21-20(22,23)14-4-8-18(24-12-14)28-15-5-7-16-13(11-15)3-6-17(25-16)19(27)26-9-1-2-10-26/h3-8,11-12H,1-2,9-10H2
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| InChIKey |
JLCKYXMWUDMBNX-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: PT01105, Sodium channel protein type 5 subunit alpha
Protein ID: PT01000, Sodium channel protein type 9 subunit alpha