General Information of the Compound
| Compound ID |
CP0159262
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| Compound Name |
5-methyl-4-(1-naphthalen-1-ylsulfonylindol-3-yl)-1H-imidazol-2-amine;hydrochloride
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| Structure |
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| Formula |
C22H19ClN4O2S
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| Molecular Weight |
438.94
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| Canonical SMILES |
Cl.Cc1nc(N)[nH]c1-c1cn(c2ccccc12)S(=O)(=O)c1cccc2ccccc12
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| InChI |
InChI=1S/C22H18N4O2S.ClH/c1-14-21(25-22(23)24-14)18-13-26(19-11-5-4-10-17(18)19)29(27,28)20-12-6-8-15-7-2-3-9-16(15)20;/h2-13H,1H3,(H3,23,24,25);1H
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| InChIKey |
NGGMVVFXCYBTPP-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
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000063 | Hep-G2 | Homo sapiens (Human) | 2 |
| 1 |
IC50 = 15700 nM
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TI
LI
LO
TS
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| 2 |
IC50 = 18400 nM
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TI
LI
LO
TS
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