General Information of the Compound
| Compound ID |
CP0473810
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| Compound Name |
2-{1-methyl-5-[4-(pyrrolidin-1- yl)phenyl]-1H-imidazol-4- yl}pyridine-4-carboxylic acid
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| Structure |
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| Formula |
C20H20N4O2
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| Molecular Weight |
348.406
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| Canonical SMILES |
Cn1cnc(c1-c1ccc(cc1)N1CCCC1)-c1cc(ccn1)C(O)=O
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| InChI |
InChI=1S/C20H20N4O2/c1-23-13-22-18(17-12-15(20(25)26)8-9-21-17)19(23)14-4-6-16(7-5-14)24-10-2-3-11-24/h4-9,12-13H,2-3,10-11H2,1H3,(H,25,26)
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| InChIKey |
RYHMPYHFLUZIAQ-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