General Information of the Compound
| Compound ID |
CP0540213
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| Compound Name |
1-[4-(3-Chloro-benzyl)-[1,4'']bipiperidinyl-1''-yl]-2-o-tolyl-ethanone
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| Structure |
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| Formula |
C26H33ClN2O
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| Molecular Weight |
425.016
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| Canonical SMILES |
Cc1ccccc1CC(=O)N1CCC(CC1)N1CCC(Cc2cccc(Cl)c2)CC1
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| InChI |
InChI=1S/C26H33ClN2O/c1-20-5-2-3-7-23(20)19-26(30)29-15-11-25(12-16-29)28-13-9-21(10-14-28)17-22-6-4-8-24(27)18-22/h2-8,18,21,25H,9-17,19H2,1H3
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| InChIKey |
QENRRRMNQOTYRO-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