General Information of the Compound
| Compound ID |
CP0440887
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| Compound Name |
1-[3-[1-(benzenesulfonyl)indol-3-yl]-2-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]ethanone
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| Structure |
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| Formula |
C23H22N4O3S
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| Molecular Weight |
434.521
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| Canonical SMILES |
CC(=O)N1CCCn2c1nc(C)c2-c1cn(c2ccccc12)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C23H22N4O3S/c1-16-22(26-14-8-13-25(17(2)28)23(26)24-16)20-15-27(21-12-7-6-11-19(20)21)31(29,30)18-9-4-3-5-10-18/h3-7,9-12,15H,8,13-14H2,1-2H3
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| InChIKey |
QHDSLCOANJPNLJ-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