General Information of the Compound
| Compound ID |
CP0963763
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| Compound Name |
2-Methylpropane-N-(1-{2-[(propan-2-yl)phenoxy]ethyl}piperidin-4-yl)-sulfonamide
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| Structure |
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| Formula |
C20H34N2O3S
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| Molecular Weight |
382.57
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| Canonical SMILES |
CC(C)CS(=O)(=O)NC1CCN(CCOc2ccccc2C(C)C)CC1
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| InChI |
InChI=1S/C20H34N2O3S/c1-16(2)15-26(23,24)21-18-9-11-22(12-10-18)13-14-25-20-8-6-5-7-19(20)17(3)4/h5-8,16-18,21H,9-15H2,1-4H3
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| InChIKey |
BJZKCUOPRGLYBP-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