General Information of the Compound
| Compound ID |
CP0346141
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| Compound Name |
N-[3-(4-methylpiperazin-1-yl)propyl]-2-(4-phenylphenoxy)acetamide
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| Structure |
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| Formula |
C22H29N3O2
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| Molecular Weight |
367.493
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| Canonical SMILES |
CN1CCN(CCCNC(=O)COc2ccc(cc2)-c2ccccc2)CC1
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| InChI |
InChI=1S/C22H29N3O2/c1-24-14-16-25(17-15-24)13-5-12-23-22(26)18-27-21-10-8-20(9-11-21)19-6-3-2-4-7-19/h2-4,6-11H,5,12-18H2,1H3,(H,23,26)
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| InChIKey |
YJAARTMYXMWRRB-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