General Information of the Compound
| Compound ID |
CP0555038
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| Compound Name |
US9452986, 61
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| Structure |
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| Formula |
C25H25F3N4O3
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| Molecular Weight |
486.494
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| Canonical SMILES |
CCN(C1CCN(CC)C(=O)C1)C(=O)c1ccc2cc(Oc3ccc(cn3)C(F)(F)F)ccc2n1
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| InChI |
InChI=1S/C25H25F3N4O3/c1-3-31-12-11-18(14-23(31)33)32(4-2)24(34)21-8-5-16-13-19(7-9-20(16)30-21)35-22-10-6-17(15-29-22)25(26,27)28/h5-10,13,15,18H,3-4,11-12,14H2,1-2H3
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| InChIKey |
RUXBDFHYQIJTFU-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