General Information of the Compound
| Compound ID |
CP0458224
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| Compound Name |
2-(1-benzyl-1H-imidazol-4-yl)-4-[5- (trifluoromethyl)-1H-1,2,3-triazol-4-yl]pyridine
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| Structure |
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| Formula |
C18H13F3N6
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| Molecular Weight |
370.338
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| Canonical SMILES |
FC(F)(F)c1[nH]nnc1-c1ccnc(c1)-c1cn(Cc2ccccc2)cn1
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| InChI |
InChI=1S/C18H13F3N6/c19-18(20,21)17-16(24-26-25-17)13-6-7-22-14(8-13)15-10-27(11-23-15)9-12-4-2-1-3-5-12/h1-8,10-11H,9H2,(H,24,25,26)
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| InChIKey |
CFLXWMJCWGKVFJ-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: PT03776, Lysine-specific demethylase 2B
Protein ID: PT02979, Lysine-specific demethylase 4C
Protein ID: PT03382, Lysine-specific demethylase 5B
Protein ID: PT03383, Lysine-specific demethylase 6B