General Information of the Compound
| Compound ID |
CP0338327
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| Compound Name |
5-[2-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-2-oxoethoxy]-2,3-dihydroinden-1-one
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| Structure |
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| Formula |
C22H31N3O3
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| Molecular Weight |
385.508
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| Canonical SMILES |
CCN1CCN(CC1)C1CCN(CC1)C(=O)COc1ccc2C(=O)CCc2c1
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| InChI |
InChI=1S/C22H31N3O3/c1-2-23-11-13-24(14-12-23)18-7-9-25(10-8-18)22(27)16-28-19-4-5-20-17(15-19)3-6-21(20)26/h4-5,15,18H,2-3,6-14,16H2,1H3
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| InChIKey |
ABWKLFAGXDXGFC-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