General Information of the Compound
| Compound ID |
CP0894043
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| Compound Name |
3-(1H-Imidazol-4-yl)propyl N-Benzyl-N'-cyclohexylcarbamimidothioate dihydrobromide
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| Structure |
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| Formula |
C20H29BrN4S
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| Molecular Weight |
437.451
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| Canonical SMILES |
Br.c1ccc(CN/C(=N/C2CCCCC2)SCCCc2c[nH]cn2)cc1
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| InChI |
InChI=1S/C20H28N4S.BrH/c1-3-8-17(9-4-1)14-22-20(24-18-10-5-2-6-11-18)25-13-7-12-19-15-21-16-23-19;/h1,3-4,8-9,15-16,18H,2,5-7,10-14H2,(H,21,23)(H,22,24);1H
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| InChIKey |
UIEXEUNPTYOTGF-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: PT01194, Histamine H3 receptor
Protein ID: PT01711, Histamine H4 receptor