General Information of the Compound
| Compound ID |
CP0495475
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| Compound Name |
methyl 2-[(2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidin-1-yl]-2-oxoacetate
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| Structure |
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| Formula |
C23H21F6NO4
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| Molecular Weight |
489.412
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| Canonical SMILES |
COC(=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/C23H21F6NO4/c1-33-21(32)20(31)30-9-5-8-18(19(30)15-6-3-2-4-7-15)34-13-14-10-16(22(24,25)26)12-17(11-14)23(27,28)29/h2-4,6-7,10-12,18-19H,5,8-9,13H2,1H3/t18-,19-/m0/s1
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| InChIKey |
RWCQGMYLKBMGOP-OALUTQOASA-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