General Information of the Compound
| Compound ID |
CP0558604
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| Compound Name |
4-(1H-triazol-4-yl)-2-[1-[2-[2-(2,2,2-trifluoroethoxy)phenyl]ethyl]imidazol-4-yl]pyridine
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| Structure |
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| Formula |
C20H17F3N6O
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| Molecular Weight |
414.391
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| Canonical SMILES |
FC(F)(F)COc1ccccc1CCn1cnc(c1)-c1cc(ccn1)-c1c[nH]nn1
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| InChI |
InChI=1S/C20H17F3N6O/c21-20(22,23)12-30-19-4-2-1-3-14(19)6-8-29-11-18(25-13-29)16-9-15(5-7-24-16)17-10-26-28-27-17/h1-5,7,9-11,13H,6,8,12H2,(H,26,27,28)
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| InChIKey |
YYJSZDMWQQRLIO-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: PT02548, Histone lysine demethylase PHF8
Protein ID: PT03776, Lysine-specific demethylase 2B