General Information of the Compound
| Compound ID |
CP0522342
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| Compound Name |
(+/-)-trans-4-((3-(3,5-bis(trifluoromethyl)benzyloxy)-2-phenylcyclopentyl)methyl)morpholine
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| Structure |
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| Formula |
C25H27F6NO2
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| Molecular Weight |
487.484
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| Canonical SMILES |
FC(F)(F)c1cc(CO[C@H]2CC[C@@H](CN3CCOCC3)[C@@H]2c2ccccc2)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C25H27F6NO2/c26-24(27,28)20-12-17(13-21(14-20)25(29,30)31)16-34-22-7-6-19(15-32-8-10-33-11-9-32)23(22)18-4-2-1-3-5-18/h1-5,12-14,19,22-23H,6-11,15-16H2/t19-,22-,23-/m0/s1
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| InChIKey |
MCZABOOQUVJJJL-VJBMBRPKSA-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