General Information of the Compound
| Compound ID |
CP0040043
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| Compound Name |
4-[3-(4-Methoxy-phenoxy)-propyl]-1H-imidazole; compound with but-2-enedioic acid(0.25M H2O)
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| Synonyms |
3-(1H-Imidazol-4-yl)propyl 4-methoxyphenyl ether
4-[3-(4-Methoxy-phenoxy)-propyl]-1H-imidazole
4-[3-(4-Methoxyphenoxy)propyl]-1H-imidazole
BDBM50092844
CHEMBL369714
DEZXFTGWFMDRDA-UHFFFAOYSA-N
SCHEMBL7987297
compound with but-2-enedioic acid(0.25M H2O)
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| Structure |
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| Formula |
C13H16N2O2
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| Molecular Weight |
232.283
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| Canonical SMILES |
COc1ccc(OCCCc2cnc[nH]2)cc1
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| InChI |
InChI=1S/C13H16N2O2/c1-16-12-4-6-13(7-5-12)17-8-2-3-11-9-14-10-15-11/h4-7,9-10H,2-3,8H2,1H3,(H,14,15)
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| InChIKey |
DEZXFTGWFMDRDA-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
Clinical Information about the Compound