General Information of the Compound
| Compound ID |
CP0450670
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| Compound Name |
2-(1-{[2-(2,2,2- trifluoroethoxy)phenyl]methyl}-1H- imidazol-4-yl)-4-[5-(trifluoromethyl)-1H- 1,2,3-triazol-4-yl]pyridine
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| Structure |
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| Formula |
C20H14F6N6O
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| Molecular Weight |
468.361
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| Canonical SMILES |
FC(F)(F)COc1ccccc1Cn1cnc(c1)-c1cc(ccn1)-c1nn[nH]c1C(F)(F)F
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| InChI |
InChI=1S/C20H14F6N6O/c21-19(22,23)10-33-16-4-2-1-3-13(16)8-32-9-15(28-11-32)14-7-12(5-6-27-14)17-18(20(24,25)26)30-31-29-17/h1-7,9,11H,8,10H2,(H,29,30,31)
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| InChIKey |
WHMPVBWIYHEQGL-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: PT03776, Lysine-specific demethylase 2B
Protein ID: PT02979, Lysine-specific demethylase 4C
Protein ID: PT03382, Lysine-specific demethylase 5B
Protein ID: PT03383, Lysine-specific demethylase 6B