General Information of the Compound
| Compound ID |
CP0375468
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| Compound Name |
4-fluoro-N-methyl-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
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| Structure |
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| Formula |
C26H29FN2O3S
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| Molecular Weight |
468.594
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| Canonical SMILES |
CN(C1CCN(CCOc2ccccc2-c2ccccc2)CC1)S(=O)(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C26H29FN2O3S/c1-28(33(30,31)24-13-11-22(27)12-14-24)23-15-17-29(18-16-23)19-20-32-26-10-6-5-9-25(26)21-7-3-2-4-8-21/h2-14,23H,15-20H2,1H3
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| InChIKey |
PGTJGPUZZYVGHY-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor