General Information of the Compound
| Compound ID |
CP0854654
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| Compound Name |
2-[1-(1-phenylpropyl)-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 |
C20H17F3N6
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| Molecular Weight |
398.392
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| Canonical SMILES |
CCC(c1ccccc1)n1cnc(-c2cc(-c3nn[nH]c3C(F)(F)F)ccn2)c1
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| InChI |
InChI=1S/C20H17F3N6/c1-2-17(13-6-4-3-5-7-13)29-11-16(25-12-29)15-10-14(8-9-24-15)18-19(20(21,22)23)27-28-26-18/h3-12,17H,2H2,1H3,(H,26,27,28)
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| InChIKey |
GECGVADGXPWZOI-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