General Information of the Compound
| Compound ID |
CP0401733
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| Compound Name |
2-[5-(3-ethoxy-4-fluorophenyl)-1-methylimidazol-4-yl]-4-(1H-triazol-4-yl)pyridine
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| Structure |
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| Formula |
C19H17FN6O
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| Molecular Weight |
364.384
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| Canonical SMILES |
CCOc1cc(ccc1F)-c1c(ncn1C)-c1cc(ccn1)-c1c[nH]nn1
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| InChI |
InChI=1S/C19H17FN6O/c1-3-27-17-9-13(4-5-14(17)20)19-18(22-11-26(19)2)15-8-12(6-7-21-15)16-10-23-25-24-16/h4-11H,3H2,1-2H3,(H,23,24,25)
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| InChIKey |
JYWWWRWPSHBPRZ-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: PT02548, Histone lysine demethylase PHF8
Protein ID: PT02237, Lysine-specific demethylase 2A
Protein ID: PT03776, Lysine-specific demethylase 2B