General Information of the Compound
| Compound ID |
CP0144741
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| Compound Name |
4-[1-(benzenesulfonyl)indol-3-yl]-5-methyl-1H-imidazol-2-amine;hydrochloride
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| Structure |
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| Formula |
C18H17ClN4O2S
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| Molecular Weight |
388.88
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| Canonical SMILES |
Cl.Cc1nc(N)[nH]c1-c1cn(c2ccccc12)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C18H16N4O2S.ClH/c1-12-17(21-18(19)20-12)15-11-22(16-10-6-5-9-14(15)16)25(23,24)13-7-3-2-4-8-13;/h2-11H,1H3,(H3,19,20,21);1H
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| InChIKey |
STZUMLRYDHMVFY-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