General Information of the Compound
| Compound ID |
CP0412028
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| Compound Name |
2-{1-[(4-fluorophenyl)methyl]-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 |
C18H12F4N6
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| Molecular Weight |
388.328
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| Canonical SMILES |
Fc1ccccc1Cn1cnc(c1)-c1cc(ccn1)-c1nn[nH]c1C(F)(F)F
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| InChI |
InChI=1S/C18H12F4N6/c19-13-4-2-1-3-12(13)8-28-9-15(24-10-28)14-7-11(5-6-23-14)16-17(18(20,21)22)26-27-25-16/h1-7,9-10H,8H2,(H,25,26,27)
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| InChIKey |
KNEMBLMOWACLIK-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