General Information of the Compound
| Compound ID |
CP0854655
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| Compound Name |
2-{1-[(3S)-1-benzoylpiperidin-3-yl]-1H-imidazol-4-yl}-4-[5-(trifiuoromethyl)-1H-1,2,3-triazol-4-yl]pyridine
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| Structure |
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| Formula |
C23H20F3N7O
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| Molecular Weight |
467.455
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| Canonical SMILES |
O=C(c1ccccc1)N1CCC[C@H](n2cnc(-c3cc(-c4nn[nH]c4C(F)(F)F)ccn3)c2)C1
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| InChI |
InChI=1S/C23H20F3N7O/c24-23(25,26)21-20(29-31-30-21)16-8-9-27-18(11-16)19-13-33(14-28-19)17-7-4-10-32(12-17)22(34)15-5-2-1-3-6-15/h1-3,5-6,8-9,11,13-14,17H,4,7,10,12H2,(H,29,30,31)/t17-/m0/s1
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| InChIKey |
JSHYFCYPEAAONQ-KRWDZBQOSA-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