General Information of the Compound
| Compound ID |
CP0265437
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| Compound Name |
2-[4-(4-methoxyphenyl)phenoxy]-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide
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| Structure |
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| Formula |
C23H31N3O3
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| Molecular Weight |
397.519
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| Canonical SMILES |
COc1ccc(cc1)-c1ccc(OCC(=O)NCCCN2CCN(C)CC2)cc1
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| InChI |
InChI=1S/C23H31N3O3/c1-25-14-16-26(17-15-25)13-3-12-24-23(27)18-29-22-10-6-20(7-11-22)19-4-8-21(28-2)9-5-19/h4-11H,3,12-18H2,1-2H3,(H,24,27)
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| InChIKey |
VUUAQQRMLQXWNQ-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