General Information of the Compound
| Compound ID |
CP0858273
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| Compound Name |
2-[3-(Imidazol-4-yl)-propyl]-1-(3,3-diphenylpropyl)-isothiourea dihydrobromide
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| Structure |
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| Formula |
C22H28Br2N4S
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| Molecular Weight |
540.369
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| Canonical SMILES |
Br.Br.N=C(NCCC(c1ccccc1)c1ccccc1)SCCCc1c[nH]cn1
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| InChI |
InChI=1S/C22H26N4S.2BrH/c23-22(27-15-7-12-20-16-24-17-26-20)25-14-13-21(18-8-3-1-4-9-18)19-10-5-2-6-11-19;;/h1-6,8-11,16-17,21H,7,12-15H2,(H2,23,25)(H,24,26);2*1H
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| InChIKey |
BNHUEQYRQBEDDK-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