General Information of the Compound
| Compound ID |
CP0376703
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| Compound Name |
2-(2-methyl-1H-imidazol-4-yl)ethan-1-amine
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| Synonyms |
1,3,5-Triazine-2(1H)-thione,tetrahydro-5-(2-hydroxyethyl)-1,3-bis(hydroxymethyl)-
2-methylhistamine
5-(2-hydroxyethyl)-1,3-bis(hydroxymethyl)-1,3,5-triazinane-2-thione
56975-07-6
AC1L3OH4
AC1Q7F21
CTK5A6094
DTXSID70205580
EINECS 260-494-0
GTPL1268
Tetrahydro-5-(2-hydroxyethyl)-1,3-bis(hydroxymethyl)-1,3,5-triazine-2(1H)-thione
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| Structure |
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| Formula |
C6H11N3
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| Molecular Weight |
125.175
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| Canonical SMILES |
Cc1ncc(CCN)[nH]1
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| InChI |
InChI=1S/C6H11N3/c1-5-8-4-6(9-5)2-3-7/h4H,2-3,7H2,1H3,(H,8,9)
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| InChIKey |
XDKYTXBAVJELDQ-UHFFFAOYSA-N
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| CAS |
34392-54-6
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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: PT01711, Histamine H4 receptor
Clinical Information about the Compound