General Information of the Compound
| Compound ID |
CP0504754
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| Compound Name |
1-[(2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-phenyl-piperidin-1-yl]-ethanone
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| Structure |
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| Formula |
C22H21F6NO2
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| Molecular Weight |
445.403
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| Canonical SMILES |
CC(=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/C22H21F6NO2/c1-14(30)29-9-5-8-19(20(29)16-6-3-2-4-7-16)31-13-15-10-17(21(23,24)25)12-18(11-15)22(26,27)28/h2-4,6-7,10-12,19-20H,5,8-9,13H2,1H3/t19-,20-/m0/s1
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| InChIKey |
KNVYPKQUKBUAAW-PMACEKPBSA-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