General Information of the Compound
| Compound ID |
CP0290532
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| Compound Name |
2-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-2-phenyl-piperidine
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| Structure |
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| Formula |
C21H21F6NO
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| Molecular Weight |
417.393
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| Canonical SMILES |
FC(F)(F)c1cc(COCC2(CCCCN2)c2ccccc2)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C21H21F6NO/c22-20(23,24)17-10-15(11-18(12-17)21(25,26)27)13-29-14-19(8-4-5-9-28-19)16-6-2-1-3-7-16/h1-3,6-7,10-12,28H,4-5,8-9,13-14H2
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| InChIKey |
SDAQMMFVBYMJDD-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