General Information of the Compound
| Compound ID |
CP0489684
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| Compound Name |
N-[4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-ethyl-1H-imidazol-2-yl]acetamide
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| Structure |
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| Formula |
C22H22N4O4S
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| Molecular Weight |
438.509
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| Canonical SMILES |
CCc1nc(NC(C)=O)[nH]c1-c1cn(c2ccc(OC)cc12)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C22H22N4O4S/c1-4-19-21(25-22(24-19)23-14(2)27)18-13-26(20-11-10-15(30-3)12-17(18)20)31(28,29)16-8-6-5-7-9-16/h5-13H,4H2,1-3H3,(H2,23,24,25,27)
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| InChIKey |
FHSXVGDJUGQOBP-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor