General Information of the Compound
| Compound ID |
CP0902071
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| Compound Name |
2-[3-(Imidazol-4-yl)-propyl]-1-(4-bromo-benzyl)-isothiourea dihydrobromide
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| Structure |
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| Formula |
C14H18Br2N4S
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| Molecular Weight |
434.201
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| Canonical SMILES |
Br.N=C(NCc1ccc(Br)cc1)SCCCc1c[nH]cn1
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| InChI |
InChI=1S/C14H17BrN4S.BrH/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13;/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19);1H
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| InChIKey |
JAHWQKIRAGACAI-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