General Information of the Compound
| Compound ID |
CP0377372
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| Compound Name |
1-[4-(3,5-Difluoro-benzyl)-[1,4'']bipiperidinyl-1''-yl]-2-o-tolyl-ethanone
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| Structure |
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| Formula |
C26H32F2N2O
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| Molecular Weight |
426.551
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| Canonical SMILES |
Cc1ccccc1CC(=O)N1CCC(CC1)N1CCC(Cc2cc(F)cc(F)c2)CC1
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| InChI |
InChI=1S/C26H32F2N2O/c1-19-4-2-3-5-22(19)17-26(31)30-12-8-25(9-13-30)29-10-6-20(7-11-29)14-21-15-23(27)18-24(28)16-21/h2-5,15-16,18,20,25H,6-14,17H2,1H3
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| InChIKey |
LQDMIPOAVWGTKP-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