General Information of the Compound
| Compound ID |
CP0198070
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| Compound Name |
1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-2-[4-(2-fluorophenyl)phenoxy]ethanone
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| Structure |
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| Formula |
C25H32FN3O2
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| Molecular Weight |
425.548
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| Canonical SMILES |
CCN1CCN(CC1)C1CCN(CC1)C(=O)COc1ccc(cc1)-c1ccccc1F
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| InChI |
InChI=1S/C25H32FN3O2/c1-2-27-15-17-28(18-16-27)21-11-13-29(14-12-21)25(30)19-31-22-9-7-20(8-10-22)23-5-3-4-6-24(23)26/h3-10,21H,2,11-19H2,1H3
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| InChIKey |
SGLADPJLVFJEPA-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
Protein ID: PT00636, Acetylcholinesterase
Protein ID: PT03099, Acetylcholinesterase