General Information of the Compound
| Compound ID |
CP0383373
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| Compound Name |
2-{1-[(1-methylpiperidin-3- yl)methyl]-1H-imidazol-4- yl}pyridine-4-carboxylic acid
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| Structure |
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| Formula |
C16H20N4O2
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| Molecular Weight |
300.362
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| Canonical SMILES |
CN1CCCC(Cn2cnc(c2)-c2cc(ccn2)C(O)=O)C1
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| InChI |
InChI=1S/C16H20N4O2/c1-19-6-2-3-12(8-19)9-20-10-15(18-11-20)14-7-13(16(21)22)4-5-17-14/h4-5,7,10-12H,2-3,6,8-9H2,1H3,(H,21,22)
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| InChIKey |
BXQUYHCZNDHZJI-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