General Information of the Compound
| Compound ID |
CP0425767
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| Compound Name |
US9452986, 622
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| Structure |
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| Formula |
C19H14F5N3O2
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| Molecular Weight |
411.33
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| Canonical SMILES |
CN(CC(F)F)C(=O)c1ccc2cc(Oc3ccc(cn3)C(F)(F)F)ccc2n1
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| InChI |
InChI=1S/C19H14F5N3O2/c1-27(10-16(20)21)18(28)15-5-2-11-8-13(4-6-14(11)26-15)29-17-7-3-12(9-25-17)19(22,23)24/h2-9,16H,10H2,1H3
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| InChIKey |
CAJGPKJTNFNEIY-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