General Information of the Compound
| Compound ID |
CP0481772
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| Compound Name |
2-[1-[2-[2- (trifluoromethyl)phenyl]ethyl]- imidazol-4-yl]pyridine-4-carboxylic acid
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| Structure |
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| Formula |
C18H14F3N3O2
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| Molecular Weight |
361.323
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| Canonical SMILES |
OC(=O)c1ccnc(c1)-c1cn(CCc2ccccc2C(F)(F)F)cn1
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| InChI |
InChI=1S/C18H14F3N3O2/c19-18(20,21)14-4-2-1-3-12(14)6-8-24-10-16(23-11-24)15-9-13(17(25)26)5-7-22-15/h1-5,7,9-11H,6,8H2,(H,25,26)
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| InChIKey |
MZMHTIGRGQLMHC-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