General Information of the Compound
| Compound ID |
CP0238744
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| Compound Name |
1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-2-[4-(4-nitrophenyl)phenoxy]ethanone
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| Structure |
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| Formula |
C25H32N4O4
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| Molecular Weight |
452.555
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| Canonical SMILES |
CCN1CCN(CC1)C1CCN(CC1)C(=O)COc1ccc(cc1)-c1ccc(cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C25H32N4O4/c1-2-26-15-17-27(18-16-26)22-11-13-28(14-12-22)25(30)19-33-24-9-5-21(6-10-24)20-3-7-23(8-4-20)29(31)32/h3-10,22H,2,11-19H2,1H3
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| InChIKey |
PPANJQUMADIAMO-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