General Information of the Compound
| Compound ID |
CP0116804
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| Compound Name |
N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(4-iodophenoxy)acetamide
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| Structure |
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| Formula |
C17H26IN3O2
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| Molecular Weight |
431.318
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| Canonical SMILES |
CCN1CCN(CCCNC(=O)COc2ccc(I)cc2)CC1
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| InChI |
InChI=1S/C17H26IN3O2/c1-2-20-10-12-21(13-11-20)9-3-8-19-17(22)14-23-16-6-4-15(18)5-7-16/h4-7H,2-3,8-14H2,1H3,(H,19,22)
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| InChIKey |
YQFJJOPBPPYZEU-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: PT03099, Acetylcholinesterase
Protein ID: PT00636, Acetylcholinesterase