General Information of the Compound
| Compound ID |
CP0490862
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| Compound Name |
2-[1-(2-naphthalen-1-ylethyl)imidazol-4-yl]-4-[5-(trifluoromethyl)-1H-triazol-4-yl]pyridine
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| Structure |
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| Formula |
C23H17F3N6
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| Molecular Weight |
434.425
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| Canonical SMILES |
FC(F)(F)c1[nH]nnc1-c1ccnc(c1)-c1cn(CCc2cccc3ccccc23)cn1
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| InChI |
InChI=1S/C23H17F3N6/c24-23(25,26)22-21(29-31-30-22)17-8-10-27-19(12-17)20-13-32(14-28-20)11-9-16-6-3-5-15-4-1-2-7-18(15)16/h1-8,10,12-14H,9,11H2,(H,29,30,31)
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| InChIKey |
LFTNYCKBUCFJFQ-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