General Information of the Compound
| Compound ID |
CP0490712
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| Compound Name |
1-[4-(4-Bromo-benzyl)-[1,4'']bipiperidinyl-1''-yl]-2-(2-methoxy-phenyl)-ethanone
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| Structure |
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| Formula |
C26H33BrN2O2
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| Molecular Weight |
485.466
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| Canonical SMILES |
COc1ccccc1CC(=O)N1CCC(CC1)N1CCC(Cc2ccc(Br)cc2)CC1
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| InChI |
InChI=1S/C26H33BrN2O2/c1-31-25-5-3-2-4-22(25)19-26(30)29-16-12-24(13-17-29)28-14-10-21(11-15-28)18-20-6-8-23(27)9-7-20/h2-9,21,24H,10-19H2,1H3
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| InChIKey |
JRCIEMCHEDOLEU-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