General Information of the Compound
| Compound ID |
CP0401735
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| Compound Name |
2-[1-[2-(2-chlorophenyl)-2-methylpropyl]imidazol-4-yl]-4-(1H-triazol-4-yl)pyridine
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| Structure |
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| Formula |
C20H19ClN6
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| Molecular Weight |
378.867
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| Canonical SMILES |
CC(C)(Cn1cnc(c1)-c1cc(ccn1)-c1c[nH]nn1)c1ccccc1Cl
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| InChI |
InChI=1S/C20H19ClN6/c1-20(2,15-5-3-4-6-16(15)21)12-27-11-19(23-13-27)17-9-14(7-8-22-17)18-10-24-26-25-18/h3-11,13H,12H2,1-2H3,(H,24,25,26)
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| InChIKey |
YHWVGAKNCQQMLU-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