General Information of the Compound
| Compound ID |
CP0478094
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| Compound Name |
US9452986, 36
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| Formula |
C21H17F3N4O2
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| Molecular Weight |
414.387
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| Canonical SMILES |
N[C@H]1[C@@H]2CN(C[C@H]12)C(=O)c1ccc2cc(Oc3ccc(cn3)C(F)(F)F)ccc2n1
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| InChI |
InChI=1S/C21H17F3N4O2/c22-21(23,24)12-2-6-18(26-8-12)30-13-3-5-16-11(7-13)1-4-17(27-16)20(29)28-9-14-15(10-28)19(14)25/h1-8,14-15,19H,9-10,25H2/t14-,15+,19+
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| InChIKey |
YNMGQLYCQYQFHZ-QWHZDKJVSA-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