General Information of the Compound
| Compound ID |
CP0389643
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| Compound Name |
(+/-)-1-(1'-(4-bromobenzyl)-3-phenyl-3,4'-bipiperidin-1-yl)propan-1-one
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| Structure |
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| Formula |
C26H33BrN2O
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| Molecular Weight |
469.467
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| Canonical SMILES |
CCC(=O)N1CCCC(C1)(C1CCN(Cc2ccc(Br)cc2)CC1)c1ccccc1
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| InChI |
InChI=1S/C26H33BrN2O/c1-2-25(30)29-16-6-15-26(20-29,22-7-4-3-5-8-22)23-13-17-28(18-14-23)19-21-9-11-24(27)12-10-21/h3-5,7-12,23H,2,6,13-20H2,1H3
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| InChIKey |
GXVJMQIXARBHKG-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