General Information of the Compound
| Compound ID |
CP0450662
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| Compound Name |
2-[1-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-4-(1H-triazol-4-yl)pyridine
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| Structure |
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| Formula |
C18H12ClF3N6
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| Molecular Weight |
404.783
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| Canonical SMILES |
FC(F)(F)c1cccc(Cn2cnc(c2)-c2cc(ccn2)-c2c[nH]nn2)c1Cl
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| InChI |
InChI=1S/C18H12ClF3N6/c19-17-12(2-1-3-13(17)18(20,21)22)8-28-9-16(24-10-28)14-6-11(4-5-23-14)15-7-25-27-26-15/h1-7,9-10H,8H2,(H,25,26,27)
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| InChIKey |
UETKJEROPXQZIY-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