General Information of the Compound
| Compound ID |
CP0859545
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| Compound Name |
2-{1-[(3,4-dihydro-2H-1-benzopyranyl)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 |
C21H17F3N6O
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| Molecular Weight |
426.402
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| Canonical SMILES |
FC(F)(F)c1[nH]nnc1-c1ccnc(-c2cn(CC3CCOc4ccccc43)cn2)c1
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| InChI |
InChI=1S/C21H17F3N6O/c22-21(23,24)20-19(27-29-28-20)13-5-7-25-16(9-13)17-11-30(12-26-17)10-14-6-8-31-18-4-2-1-3-15(14)18/h1-5,7,9,11-12,14H,6,8,10H2,(H,27,28,29)
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| InChIKey |
XZDINZFIWOOKIK-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