General Information of the Compound
| Compound ID |
CP0399940
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| Compound Name |
(+/-)-1-(1'-(4-bromobenzyl)-3-phenyl-3,4'-bipiperidin-1-yl)-2,2,2-trifluoroethanone
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| Structure |
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| Formula |
C25H28BrF3N2O
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| Molecular Weight |
509.41
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| Canonical SMILES |
FC(F)(F)C(=O)N1CCCC(C1)(C1CCN(Cc2ccc(Br)cc2)CC1)c1ccccc1
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| InChI |
InChI=1S/C25H28BrF3N2O/c26-22-9-7-19(8-10-22)17-30-15-11-21(12-16-30)24(20-5-2-1-3-6-20)13-4-14-31(18-24)23(32)25(27,28)29/h1-3,5-10,21H,4,11-18H2
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| InChIKey |
KLGLMVXXCWGYNY-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