General Information of the Compound
| Compound ID |
CP0520209
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| Compound Name |
4-Phenyl-4-(4-trifluoromethyl-benzyloxymethyl)-piperidine
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| Structure |
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| Formula |
C20H22F3NO
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| Molecular Weight |
349.396
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| Canonical SMILES |
FC(F)(F)c1ccc(COCC2(CCNCC2)c2ccccc2)cc1
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| InChI |
InChI=1S/C20H22F3NO/c21-20(22,23)18-8-6-16(7-9-18)14-25-15-19(10-12-24-13-11-19)17-4-2-1-3-5-17/h1-9,24H,10-15H2
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| InChIKey |
PJXOVMYBBBUBNC-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