General Information of the Compound
| Compound ID |
CP0854653
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| Compound Name |
2-[1-(6-fluoro-2,3-dihydro-1H-inden-l-yl)-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 |
C20H14F4N6
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| Molecular Weight |
414.366
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| Canonical SMILES |
Fc1ccc2c(c1)C(n1cnc(-c3cc(-c4nn[nH]c4C(F)(F)F)ccn3)c1)CC2
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| InChI |
InChI=1S/C20H14F4N6/c21-13-3-1-11-2-4-17(14(11)8-13)30-9-16(26-10-30)15-7-12(5-6-25-15)18-19(20(22,23)24)28-29-27-18/h1,3,5-10,17H,2,4H2,(H,27,28,29)
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| InChIKey |
GUGUWBOCGPLYEC-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