General Information of the Compound
| Compound ID |
CP0092861
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| Compound Name |
2-(2-(4-tert-Butylphenylthio)ethyl)-1H-imidazole
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| Synonyms |
2-(2-(4-tert-Butylphenylthio)ethyl)-1H-imidazole
4-(2-(4-tert-butylphenylthio)ethyl)-1H-imidazole
4-(2-(40-tert-butylphenylthio)ethyl)-1H-imidazole
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| Structure |
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| Formula |
C15H20N2S
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| Molecular Weight |
260.406
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| Canonical SMILES |
CC(C)(C)c1ccc(SCCc2cnc[nH]2)cc1
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| InChI |
InChI=1S/C15H20N2S/c1-15(2,3)12-4-6-14(7-5-12)18-9-8-13-10-16-11-17-13/h4-7,10-11H,8-9H2,1-3H3,(H,16,17)
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| InChIKey |
PQPVHIHIJVIEQG-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: PT01206, Histamine H1 receptor
Protein ID: PT01357, Histamine H2 receptor
Protein ID: PT01194, Histamine H3 receptor
Protein ID: PT01711, Histamine H4 receptor
Clinical Information about the Compound