General Information of the Compound
| Compound ID |
CP0455747
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| Compound Name |
2-[5-(4-chloro-2-methylphenyl)- 1-methyl-1H-imidazol-4- yl]pyridine-4-carboxylic acid
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| Structure |
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| Formula |
C17H14ClN3O2
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| Molecular Weight |
327.771
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| Canonical SMILES |
Cc1cc(Cl)ccc1-c1c(ncn1C)-c1cc(ccn1)C(O)=O
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| InChI |
InChI=1S/C17H14ClN3O2/c1-10-7-12(18)3-4-13(10)16-15(20-9-21(16)2)14-8-11(17(22)23)5-6-19-14/h3-9H,1-2H3,(H,22,23)
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| InChIKey |
MVUYWQFICDCDEN-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: PT02979, Lysine-specific demethylase 4C
Protein ID: PT02613, Lysine-specific demethylase 5A
Protein ID: PT03382, Lysine-specific demethylase 5B