General Information of the Compound
| Compound ID |
CP0151361
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| Compound Name |
(2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-1-furan-2-ylmethyl-2-phenyl-piperidine
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| Structure |
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| Formula |
C25H23F6NO2
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| Molecular Weight |
483.452
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| Canonical SMILES |
FC(F)(F)c1cc(CO[C@H]2CCCN(Cc3ccco3)[C@H]2c2ccccc2)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C25H23F6NO2/c26-24(27,28)19-12-17(13-20(14-19)25(29,30)31)16-34-22-9-4-10-32(15-21-8-5-11-33-21)23(22)18-6-2-1-3-7-18/h1-3,5-8,11-14,22-23H,4,9-10,15-16H2/t22-,23-/m0/s1
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| InChIKey |
IEYWODZRHHRXAA-GOTSBHOMSA-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