General Information of the Compound
| Compound ID |
CP0435391
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| Compound Name |
2-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-3-methyl-1H-imidazo[1,2-a]pyrimidin-4-ium;bromide
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| Structure |
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| Formula |
C22H19BrN4O3S
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| Molecular Weight |
499.39
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| Canonical SMILES |
[Br-].COc1ccc2n(cc(-c3[nH]c4nccc[n+]4c3C)c2c1)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C22H18N4O3S.BrH/c1-15-21(24-22-23-11-6-12-25(15)22)19-14-26(20-10-9-16(29-2)13-18(19)20)30(27,28)17-7-4-3-5-8-17;/h3-14H,1-2H3;1H
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| InChIKey |
MJJNYOGFSPQEPR-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