General Information of the Compound
| Compound ID |
CP0519612
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| Compound Name |
4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-N-benzyl-5-methyl-1H-imidazol-2-amine
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| Structure |
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| Formula |
C26H24N4O3S
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| Molecular Weight |
472.57
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| Canonical SMILES |
COc1ccc2n(cc(-c3[nH]c(NCc4ccccc4)nc3C)c2c1)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C26H24N4O3S/c1-18-25(29-26(28-18)27-16-19-9-5-3-6-10-19)23-17-30(24-14-13-20(33-2)15-22(23)24)34(31,32)21-11-7-4-8-12-21/h3-15,17H,16H2,1-2H3,(H2,27,28,29)
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| InChIKey |
WKDOWEAWARBZNI-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: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor