General Information of the Compound
| Compound ID |
CP0400519
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| Compound Name |
4-((1H-Imidazol-4-yl)methyl)-1-(4-methoxyphenyl)piperidine
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| Structure |
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| Formula |
C16H21N3O
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| Molecular Weight |
271.364
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| Canonical SMILES |
COc1ccc(cc1)N1CCC(Cc2cnc[nH]2)CC1
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| InChI |
InChI=1S/C16H21N3O/c1-20-16-4-2-15(3-5-16)19-8-6-13(7-9-19)10-14-11-17-12-18-14/h2-5,11-13H,6-10H2,1H3,(H,17,18)
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| InChIKey |
XGWXPMUNGMSGIF-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: PT01206, Histamine H1 receptor
Protein ID: PT01357, Histamine H2 receptor
Protein ID: PT01194, Histamine H3 receptor
Protein ID: PT01711, Histamine H4 receptor