General Information of the Compound
| Compound ID |
CP0731051
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| Compound Name |
6-(4-{4-[2-(1-Methyl-1H-pyrazol-5-yl)ethoxy]phenyl}piperidin-1-yl)-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazine
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| Structure |
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| Formula |
C23H24F3N7O
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| Molecular Weight |
471.487
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| Canonical SMILES |
Cn1nccc1CCOc1ccc(C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cc1
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| InChI |
InChI=1S/C23H24F3N7O/c1-31-18(8-12-27-31)11-15-34-19-4-2-16(3-5-19)17-9-13-32(14-10-17)21-7-6-20-28-29-22(23(24,25)26)33(20)30-21/h2-8,12,17H,9-11,13-15H2,1H3
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| InChIKey |
ZMYKWWZQOCYJDE-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