General Information of the Compound
| Compound ID |
CP0401731
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| Compound Name |
4-[5-(trifluoromethyl)-1H-1,2,3-triazol-4-yl]-2-(1-{2- [4-(trifluoromethyl)phenyl]ethyl}-1H-imidazol-4- yl)pyridine
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| Structure |
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| Formula |
C20H14F6N6
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| Molecular Weight |
452.362
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| Canonical SMILES |
FC(F)(F)c1[nH]nnc1-c1ccnc(c1)-c1cn(CCc2ccc(cc2)C(F)(F)F)cn1
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| InChI |
InChI=1S/C20H14F6N6/c21-19(22,23)14-3-1-12(2-4-14)6-8-32-10-16(28-11-32)15-9-13(5-7-27-15)17-18(20(24,25)26)30-31-29-17/h1-5,7,9-11H,6,8H2,(H,29,30,31)
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| InChIKey |
YILLGKWYFLZWTN-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