General Information of the Compound
| Compound ID |
CP0850793
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| Compound Name |
5-Chloro-N-(1-{2-[(propan-2-yl)phenoxy]ethyl}piperidin-4-yl)-thiophene-2-sulfonamide
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| Structure |
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| Formula |
C20H27ClN2O3S2
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| Molecular Weight |
443.034
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| Canonical SMILES |
CC(C)c1ccccc1OCCN1CCC(NS(=O)(=O)c2ccc(Cl)s2)CC1
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| InChI |
InChI=1S/C20H27ClN2O3S2/c1-15(2)17-5-3-4-6-18(17)26-14-13-23-11-9-16(10-12-23)22-28(24,25)20-8-7-19(21)27-20/h3-8,15-16,22H,9-14H2,1-2H3
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| InChIKey |
OTHKGLPCISDPKW-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