General Information of the Compound
| Compound ID |
CP0528751
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| Compound Name |
2-Benzyl-3-(3,5-bis-trifluoromethyl-benzyloxy)-1-aza-bicyclo[2.2.2]octane
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| Structure |
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| Formula |
C23H23F6NO
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| Molecular Weight |
443.431
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| Canonical SMILES |
FC(F)(F)c1cc(COC2C3CCN(CC3)C2Cc2ccccc2)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C23H23F6NO/c24-22(25,26)18-10-16(11-19(13-18)23(27,28)29)14-31-21-17-6-8-30(9-7-17)20(21)12-15-4-2-1-3-5-15/h1-5,10-11,13,17,20-21H,6-9,12,14H2
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| InChIKey |
JOTMNMNWQYWMOE-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