General Information of the Compound
| Compound ID |
CP0848427
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| Compound Name |
2-(5,6-dimethyl-1H-benzo[d]imidazol-2-ylthio)-N,N-dimethylethanamine
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| Structure |
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| Formula |
C13H19N3S
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| Molecular Weight |
249.383
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| Canonical SMILES |
Cc1cc2nc(SCCN(C)C)[nH]c2cc1C
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| InChI |
InChI=1S/C13H19N3S/c1-9-7-11-12(8-10(9)2)15-13(14-11)17-6-5-16(3)4/h7-8H,5-6H2,1-4H3,(H,14,15)
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| InChIKey |
DXJWDGAAWVUQOO-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: PT01711, Histamine H4 receptor