General Information of the Compound
| Compound ID |
CP0347219
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| Compound Name |
1-{4-[4-(1H-Imidazol-4-yl)-butoxy]-phenyl}-ethanone
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| Structure |
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| Formula |
C15H18N2O2
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| Molecular Weight |
258.321
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| Canonical SMILES |
CC(=O)c1ccc(OCCCCc2cnc[nH]2)cc1
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| InChI |
InChI=1S/C15H18N2O2/c1-12(18)13-5-7-15(8-6-13)19-9-3-2-4-14-10-16-11-17-14/h5-8,10-11H,2-4,9H2,1H3,(H,16,17)
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| InChIKey |
PITUTBJNKVXXIR-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: PT01173, Histamine H3 receptor