General Information of the Compound
| Compound ID |
CP0481686
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| Compound Name |
N-[[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]methyl]thiophene-2-sulfonamide
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| Structure |
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| Formula |
C18H23FN2O3S2
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| Molecular Weight |
398.525
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| Canonical SMILES |
Fc1cccc(OCCN2CCC(CNS(=O)(=O)c3cccs3)CC2)c1
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| InChI |
InChI=1S/C18H23FN2O3S2/c19-16-3-1-4-17(13-16)24-11-10-21-8-6-15(7-9-21)14-20-26(22,23)18-5-2-12-25-18/h1-5,12-13,15,20H,6-11,14H2
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| InChIKey |
BMFHZRZIYNLNCC-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