General Information of the Compound
| Compound ID |
CP0341974
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| Compound Name |
1-[3-(1H-imidazol-4-ylmethyl)phenyl]-3,3-dimethylbutan-1-one
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| Structure |
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| Formula |
C16H20N2O
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| Molecular Weight |
256.349
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| Canonical SMILES |
CC(C)(C)CC(=O)c1cccc(Cc2cnc[nH]2)c1
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| InChI |
InChI=1S/C16H20N2O/c1-16(2,3)9-15(19)13-6-4-5-12(7-13)8-14-10-17-11-18-14/h4-7,10-11H,8-9H2,1-3H3,(H,17,18)
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| InChIKey |
SHQNNJIERWMYHK-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