General Information of the Compound
| Compound ID |
CP0525831
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| Compound Name |
5-chloro-N-[[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]methyl]thiophene-2-sulfonamide
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| Structure |
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| Formula |
C24H27ClN2O3S2
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| Molecular Weight |
491.078
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| Canonical SMILES |
Clc1ccc(s1)S(=O)(=O)NCC1CCN(CCOc2ccccc2-c2ccccc2)CC1
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| InChI |
InChI=1S/C24H27ClN2O3S2/c25-23-10-11-24(31-23)32(28,29)26-18-19-12-14-27(15-13-19)16-17-30-22-9-5-4-8-21(22)20-6-2-1-3-7-20/h1-11,19,26H,12-18H2
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| InChIKey |
KMOMTWGPDMMDNW-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