General Information of the Compound
| Compound ID |
CP0456551
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| Compound Name |
US9452986, 603
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| Structure |
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| Formula |
C21H17F5N4O2
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| Molecular Weight |
452.383
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| Canonical SMILES |
FC(F)[C@H]1CNCCN1C(=O)c1ccc2cc(Oc3ccc(cn3)C(F)(F)F)ccc2n1
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| InChI |
InChI=1S/C21H17F5N4O2/c22-19(23)17-11-27-7-8-30(17)20(31)16-4-1-12-9-14(3-5-15(12)29-16)32-18-6-2-13(10-28-18)21(24,25)26/h1-6,9-10,17,19,27H,7-8,11H2/t17-/m1/s1
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| InChIKey |
NTJUSWRVFLTWST-QGZVFWFLSA-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