General Information of the Compound
| Compound ID |
CP0471546
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| Compound Name |
2-[1-[(2-fluoro-3-methoxyphenyl)methyl]imidazol-4-yl]-4-(1H-triazol-4-yl)pyridine
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| Structure |
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| Formula |
C18H15FN6O
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| Molecular Weight |
350.357
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| Canonical SMILES |
COc1cccc(Cn2cnc(c2)-c2cc(ccn2)-c2c[nH]nn2)c1F
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| InChI |
InChI=1S/C18H15FN6O/c1-26-17-4-2-3-13(18(17)19)9-25-10-16(21-11-25)14-7-12(5-6-20-14)15-8-22-24-23-15/h2-8,10-11H,9H2,1H3,(H,22,23,24)
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| InChIKey |
TXLXRFMNSKJPLV-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: PT03776, Lysine-specific demethylase 2B