General Information of the Compound
| Compound ID |
CP0397736
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| Compound Name |
1-[4-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-4-phenyl-piperidin-1-yl]-2-pyridin-2-yl-ethanone
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| Structure |
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| Formula |
C28H26F6N2O2
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| Molecular Weight |
536.516
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| Canonical SMILES |
FC(F)(F)c1cc(COCC2(CCN(CC2)C(=O)Cc2ccccn2)c2ccccc2)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C28H26F6N2O2/c29-27(30,31)22-14-20(15-23(16-22)28(32,33)34)18-38-19-26(21-6-2-1-3-7-21)9-12-36(13-10-26)25(37)17-24-8-4-5-11-35-24/h1-8,11,14-16H,9-10,12-13,17-19H2
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| InChIKey |
DSJXYWZMYCYKLU-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