General Information of the Compound
| Compound ID |
CP0424446
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| Compound Name |
4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-ethyl-1H-imidazol-2-amine;hydrochloride
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| Structure |
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| Formula |
C20H21ClN4O3S
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| Molecular Weight |
432.933
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| Canonical SMILES |
Cl.CCc1nc(N)[nH]c1-c1cn(c2ccc(OC)cc12)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C20H20N4O3S.ClH/c1-3-17-19(23-20(21)22-17)16-12-24(18-10-9-13(27-2)11-15(16)18)28(25,26)14-7-5-4-6-8-14;/h4-12H,3H2,1-2H3,(H3,21,22,23);1H
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| InChIKey |
OJEVJBAXYUQNKN-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