General Information of the Compound
| Compound ID |
CP0853601
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| Compound Name |
1-Methyl-N-(1-{2-[(propan-2-yl)phenoxy]ethyl}piperidin-4-yl)-1H-pyrazole-4-sulfonamide
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| Structure |
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| Formula |
C20H30N4O3S
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| Molecular Weight |
406.552
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| Canonical SMILES |
CC(C)c1ccccc1OCCN1CCC(NS(=O)(=O)c2cnn(C)c2)CC1
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| InChI |
InChI=1S/C20H30N4O3S/c1-16(2)19-6-4-5-7-20(19)27-13-12-24-10-8-17(9-11-24)22-28(25,26)18-14-21-23(3)15-18/h4-7,14-17,22H,8-13H2,1-3H3
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| InChIKey |
DHICCJDVBYVTJF-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