General Information of the Compound
| Compound ID |
CP0432296
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| Compound Name |
2-{1-methyl-5-[4- (trifluoromethoxy)phenyl]-1H- imidazol-4-yl}pyridine-4- carboxylic acid
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| Structure |
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| Formula |
C17H12F3N3O3
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| Molecular Weight |
363.295
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| Canonical SMILES |
Cn1cnc(c1-c1ccc(OC(F)(F)F)cc1)-c1cc(ccn1)C(O)=O
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| InChI |
InChI=1S/C17H12F3N3O3/c1-23-9-22-14(13-8-11(16(24)25)6-7-21-13)15(23)10-2-4-12(5-3-10)26-17(18,19)20/h2-9H,1H3,(H,24,25)
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| InChIKey |
OTBZGJHFGXDSHF-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: PT02613, Lysine-specific demethylase 5A
Protein ID: PT03382, Lysine-specific demethylase 5B