General Information of the Compound
| Compound ID |
CP0426093
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| Compound Name |
N-[1-[2-(2-propan-2-ylphenoxy)ethyl]pyrrolidin-3-yl]quinoline-8-sulfonamide
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| Structure |
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| Formula |
C24H29N3O3S
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| Molecular Weight |
439.581
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| Canonical SMILES |
CC(C)c1ccccc1OCCN1CCC(C1)NS(=O)(=O)c1cccc2cccnc12
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| InChI |
InChI=1S/C24H29N3O3S/c1-18(2)21-9-3-4-10-22(21)30-16-15-27-14-12-20(17-27)26-31(28,29)23-11-5-7-19-8-6-13-25-24(19)23/h3-11,13,18,20,26H,12,14-17H2,1-2H3
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| InChIKey |
NWTFCLNCCNYNPB-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