General Information of the Compound
| Compound ID |
CP0887459
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| Compound Name |
2-{1-[(1,2,3,4,4a,8a-hexahydronaphthalen-3-yl)methyl]-1H-imidazol-4-yl}-4-[5-(trifluoromethyl)-1H-1,2,3-triazol-4-y1]pyridine
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| Structure |
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| Formula |
C22H19F3N6
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| Molecular Weight |
424.43
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| Canonical SMILES |
FC(F)(F)c1[nH]nnc1-c1ccnc(-c2cn(CC3CCCc4ccccc43)cn2)c1
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| InChI |
InChI=1S/C22H19F3N6/c23-22(24,25)21-20(28-30-29-21)15-8-9-26-18(10-15)19-12-31(13-27-19)11-16-6-3-5-14-4-1-2-7-17(14)16/h1-2,4,7-10,12-13,16H,3,5-6,11H2,(H,28,29,30)
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| InChIKey |
GZSKYQYFMMZVFA-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