General Information of the Compound
| Compound ID |
CP0475225
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| Compound Name |
5-[1-[4-(benzenesulfonyl)-4-methylpentyl]piperidin-3-yl]-1,3-oxazole
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| Structure |
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| Formula |
C20H28N2O3S
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| Molecular Weight |
376.522
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| Canonical SMILES |
CC(C)(CCCN1CCCC(C1)c1cnco1)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C20H28N2O3S/c1-20(2,26(23,24)18-9-4-3-5-10-18)11-7-13-22-12-6-8-17(15-22)19-14-21-16-25-19/h3-5,9-10,14,16-17H,6-8,11-13,15H2,1-2H3
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| InChIKey |
VZHJJBFDOPZNIN-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: PT01202, 5-hydroxytryptamine receptor 1B
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2