General Information of the Compound
| Compound ID |
CP0498589
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| Compound Name |
2-[(2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-phenyl-piperidin-1-yl]-2-oxo-acetamide
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| Structure |
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| Formula |
C22H20F6N2O3
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| Molecular Weight |
474.401
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| Canonical SMILES |
NC(=O)C(=O)N1CCC[C@H](OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c1ccccc1
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| InChI |
InChI=1S/C22H20F6N2O3/c23-21(24,25)15-9-13(10-16(11-15)22(26,27)28)12-33-17-7-4-8-30(20(32)19(29)31)18(17)14-5-2-1-3-6-14/h1-3,5-6,9-11,17-18H,4,7-8,12H2,(H2,29,31)/t17-,18-/m0/s1
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| InChIKey |
ILEJUPVCFWLSHB-ROUUACIJSA-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