General Information of the Compound
| Compound ID |
CP0400548
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| Compound Name |
3-methoxy-2-[[4-[4-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]phenoxy]methyl]pyridine
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| Structure |
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| Formula |
C23H19F3N4O2
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| Molecular Weight |
440.425
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| Canonical SMILES |
COc1cccnc1COc1ccc(cc1)-c1nn(CC(F)(F)F)cc1-c1ccncc1
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| InChI |
InChI=1S/C23H19F3N4O2/c1-31-21-3-2-10-28-20(21)14-32-18-6-4-17(5-7-18)22-19(16-8-11-27-12-9-16)13-30(29-22)15-23(24,25)26/h2-13H,14-15H2,1H3
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| InChIKey |
RARHAHMFCRRNBY-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