General Information of the Compound
| Compound ID |
CP0455245
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| Compound Name |
3-chloro-N-[[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]methyl]benzenesulfonamide
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| Structure |
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| Formula |
C20H24ClFN2O3S
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| Molecular Weight |
426.941
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| Canonical SMILES |
Fc1cccc(OCCN2CCC(CNS(=O)(=O)c3cccc(Cl)c3)CC2)c1
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| InChI |
InChI=1S/C20H24ClFN2O3S/c21-17-3-1-6-20(13-17)28(25,26)23-15-16-7-9-24(10-8-16)11-12-27-19-5-2-4-18(22)14-19/h1-6,13-14,16,23H,7-12,15H2
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| InChIKey |
JJOQQHOWCXQERZ-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: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor