General Information of the Compound
| Compound ID |
CP0393550
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| Compound Name |
2-{1-[2-(2-ethoxyphenyl)ethyl]-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 |
C21H19F3N6O
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| Molecular Weight |
428.418
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| Canonical SMILES |
CCOc1ccccc1CCn1cnc(c1)-c1cc(ccn1)-c1nn[nH]c1C(F)(F)F
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| InChI |
InChI=1S/C21H19F3N6O/c1-2-31-18-6-4-3-5-14(18)8-10-30-12-17(26-13-30)16-11-15(7-9-25-16)19-20(21(22,23)24)28-29-27-19/h3-7,9,11-13H,2,8,10H2,1H3,(H,27,28,29)
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| InChIKey |
LAHJCVJYCGEQRW-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