General Information of the Compound
| Compound ID |
CP0519471
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| Compound Name |
2-[5-(4-chloro-3-fluorophenyl)-1- methyl-1H-imidazol-4- yl]pyridine-4-carboxylic acid
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| Structure |
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| Formula |
C16H11ClFN3O2
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| Molecular Weight |
331.734
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| Canonical SMILES |
Cn1cnc(c1-c1ccc(Cl)c(F)c1)-c1cc(ccn1)C(O)=O
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| InChI |
InChI=1S/C16H11ClFN3O2/c1-21-8-20-14(13-7-10(16(22)23)4-5-19-13)15(21)9-2-3-11(17)12(18)6-9/h2-8H,1H3,(H,22,23)
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| InChIKey |
IJXQPIKMXWVJMM-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