General Information of the Compound
| Compound ID |
CP0397268
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| Compound Name |
N-[2-methyl-3-[[4-[4-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
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| Structure |
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| Formula |
C25H27F3N6O2
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| Molecular Weight |
500.525
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| Canonical SMILES |
CC(=O)Nc1cccc(Nc2ncnc(n2)N2CCC(CC2)OCc2ccc(cc2)C(F)(F)F)c1C
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| InChI |
InChI=1S/C25H27F3N6O2/c1-16-21(31-17(2)35)4-3-5-22(16)32-23-29-15-30-24(33-23)34-12-10-20(11-13-34)36-14-18-6-8-19(9-7-18)25(26,27)28/h3-9,15,20H,10-14H2,1-2H3,(H,31,35)(H,29,30,32,33)
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| InChIKey |
UNKLXLHKQLTRFB-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: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT01105, Sodium channel protein type 5 subunit alpha
Protein ID: PT01000, Sodium channel protein type 9 subunit alpha