General Information of the Compound
| Compound ID |
CP0411619
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| Compound Name |
2-{5-[4-(dimethylamino)phenyl]- 1H-pyrazol-1-yl}pyridine-4- carboxylic acid
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| Structure |
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| Formula |
C17H16N4O2
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| Molecular Weight |
308.341
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| Canonical SMILES |
CN(C)c1ccc(cc1)-c1ccnn1-c1cc(ccn1)C(O)=O
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| InChI |
InChI=1S/C17H16N4O2/c1-20(2)14-5-3-12(4-6-14)15-8-10-19-21(15)16-11-13(17(22)23)7-9-18-16/h3-11H,1-2H3,(H,22,23)
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| InChIKey |
FRSFPMMQGXIOOY-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