General Information of the Compound
| Compound ID |
CP0905310
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| Compound Name |
2-{1-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)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 |
C23H21F3N6O
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| Molecular Weight |
454.456
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| Canonical SMILES |
COc1cccc2c1C(Cn1cnc(-c3cc(-c4nn[nH]c4C(F)(F)F)ccn3)c1)CCC2
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| InChI |
InChI=1S/C23H21F3N6O/c1-33-19-7-3-5-14-4-2-6-16(20(14)19)11-32-12-18(28-13-32)17-10-15(8-9-27-17)21-22(23(24,25)26)30-31-29-21/h3,5,7-10,12-13,16H,2,4,6,11H2,1H3,(H,29,30,31)
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| InChIKey |
GXHWXOVAFMKAQV-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