General Information of the Compound
| Compound ID |
CP0447114
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| Compound Name |
3-chloro-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzamide
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| Structure |
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| Formula |
C26H27ClN2O2
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| Molecular Weight |
434.967
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| Canonical SMILES |
Clc1cccc(c1)C(=O)NC1CCN(CCOc2ccccc2-c2ccccc2)CC1
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| InChI |
InChI=1S/C26H27ClN2O2/c27-22-10-6-9-21(19-22)26(30)28-23-13-15-29(16-14-23)17-18-31-25-12-5-4-11-24(25)20-7-2-1-3-8-20/h1-12,19,23H,13-18H2,(H,28,30)
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| InChIKey |
ZJFPKMFIZHDLEO-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00941, 5-hydroxytryptamine receptor 7