General Information of the Compound
| Compound ID |
CP0440888
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| Compound Name |
2-[1-(benzenesulfonyl)indol-3-yl]-1H-imidazo[1,2-a]pyrimidin-4-ium;bromide
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| Structure |
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| Formula |
C20H15BrN4O2S
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| Molecular Weight |
455.337
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| Canonical SMILES |
[Br-].O=S(=O)(c1ccccc1)n1cc(-c2c[n+]3cccnc3[nH]2)c2ccccc12
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| InChI |
InChI=1S/C20H14N4O2S.BrH/c25-27(26,15-7-2-1-3-8-15)24-13-17(16-9-4-5-10-19(16)24)18-14-23-12-6-11-21-20(23)22-18;/h1-14H;1H
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| InChIKey |
PCBLXOWERVRMOT-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