General Information of the Compound
| Compound ID |
CP0472103
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| Compound Name |
2-(1-{2- [benzyl(methyl)amino]ethyl}-1H- imidazol-4-yl)pyridine-4- carboxylic acid
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| Structure |
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| Formula |
C19H20N4O2
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| Molecular Weight |
336.395
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| Canonical SMILES |
CN(CCn1cnc(c1)-c1cc(ccn1)C(O)=O)Cc1ccccc1
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| InChI |
InChI=1S/C19H20N4O2/c1-22(12-15-5-3-2-4-6-15)9-10-23-13-18(21-14-23)17-11-16(19(24)25)7-8-20-17/h2-8,11,13-14H,9-10,12H2,1H3,(H,24,25)
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| InChIKey |
CODSMUFGDSEQOV-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