General Information of the Compound
| Compound ID |
CP0393556
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| Compound Name |
2-{1-[2-(4-tert-butylphenyl)ethyl]-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 |
C23H23F3N6
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| Molecular Weight |
440.473
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| Canonical SMILES |
CC(C)(C)c1ccc(CCn2cnc(c2)-c2cc(ccn2)-c2nn[nH]c2C(F)(F)F)cc1
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| InChI |
InChI=1S/C23H23F3N6/c1-22(2,3)17-6-4-15(5-7-17)9-11-32-13-19(28-14-32)18-12-16(8-10-27-18)20-21(23(24,25)26)30-31-29-20/h4-8,10,12-14H,9,11H2,1-3H3,(H,29,30,31)
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| InChIKey |
OTANKDWZNIFZRG-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