General Information of the Compound
| Compound ID |
CP0402458
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| Compound Name |
2-[1-[2-(2- methoxyphenyl)ethyl]imidazol-4- yl]pyridine-4-carboxylic acid
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| Structure |
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| Formula |
C18H17N3O3
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| Molecular Weight |
323.352
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| Canonical SMILES |
COc1ccccc1CCn1cnc(c1)-c1cc(ccn1)C(O)=O
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| InChI |
InChI=1S/C18H17N3O3/c1-24-17-5-3-2-4-13(17)7-9-21-11-16(20-12-21)15-10-14(18(22)23)6-8-19-15/h2-6,8,10-12H,7,9H2,1H3,(H,22,23)
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| InChIKey |
WIFDYYDCPDNMJO-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