General Information of the Compound
| Compound ID |
CP0525728
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| Compound Name |
N-[1-[2-(3-phenylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
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| Structure |
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| Formula |
C25H28N2O3S
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| Molecular Weight |
436.577
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| Canonical SMILES |
O=S(=O)(NC1CCN(CCOc2cccc(c2)-c2ccccc2)CC1)c1ccccc1
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| InChI |
InChI=1S/C25H28N2O3S/c28-31(29,25-12-5-2-6-13-25)26-23-14-16-27(17-15-23)18-19-30-24-11-7-10-22(20-24)21-8-3-1-4-9-21/h1-13,20,23,26H,14-19H2
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| InChIKey |
CDKFNPKUXVJFSA-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