General Information of the Compound
| Compound ID |
CP0455740
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| Compound Name |
2-(1-propyl-1H-imidazol-4- yl)pyridine-4-carboxylic acid
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| Structure |
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| Formula |
C12H13N3O2
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| Molecular Weight |
231.255
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| Canonical SMILES |
CCCn1cnc(c1)-c1cc(ccn1)C(O)=O
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| InChI |
InChI=1S/C12H13N3O2/c1-2-5-15-7-11(14-8-15)10-6-9(12(16)17)3-4-13-10/h3-4,6-8H,2,5H2,1H3,(H,16,17)
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| InChIKey |
OJXCGLCDLOSZJU-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