General Information of the Compound
| Compound ID |
CP0041994
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| Compound Name |
1-{4-[3-(1H-Imidazol-4-yl)-propoxy]-phenyl}-ethanone
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| Structure |
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| Formula |
C14H16N2O2
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| Molecular Weight |
244.294
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| Canonical SMILES |
CC(=O)c1ccc(OCCCc2cnc[nH]2)cc1
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| InChI |
InChI=1S/C14H16N2O2/c1-11(17)12-4-6-14(7-5-12)18-8-2-3-13-9-15-10-16-13/h4-7,9-10H,2-3,8H2,1H3,(H,15,16)
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| InChIKey |
FDJSGXRROVCWFT-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: PT01173, Histamine H3 receptor
Protein ID: PT01194, Histamine H3 receptor