General Information of the Compound
| Compound ID |
CP0396770
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| Compound Name |
1-[4-[4-(4-pyridin-2-ylpiperazin-1-yl)butoxy]phenyl]ethanone
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| Structure |
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| Formula |
C21H27N3O2
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| Molecular Weight |
353.466
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| Canonical SMILES |
CC(=O)c1ccc(OCCCCN2CCN(CC2)c2ccccn2)cc1
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| InChI |
InChI=1S/C21H27N3O2/c1-18(25)19-7-9-20(10-8-19)26-17-5-4-12-23-13-15-24(16-14-23)21-6-2-3-11-22-21/h2-3,6-11H,4-5,12-17H2,1H3
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| InChIKey |
TZUFFBQTTYRULM-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