General Information of the Compound
| Compound ID |
CP0471451
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| Compound Name |
2-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]-4-(1H-triazol-4-yl)pyridine
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| Structure |
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| Formula |
C17H13ClN6
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| Molecular Weight |
336.786
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| Canonical SMILES |
Clc1ccccc1Cn1cnc(c1)-c1cc(ccn1)-c1c[nH]nn1
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| InChI |
InChI=1S/C17H13ClN6/c18-14-4-2-1-3-13(14)9-24-10-17(20-11-24)15-7-12(5-6-19-15)16-8-21-23-22-16/h1-8,10-11H,9H2,(H,21,22,23)
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| InChIKey |
FEAWGCOCHKJAAI-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