General Information of the Compound
| Compound ID |
CP0506058
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| Compound Name |
[1,2,5-trimethyl-4-(2-naphthalen-1-ylethynyl)piperidin-4-yl] acetate
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| Structure |
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| Formula |
C22H25NO2
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| Molecular Weight |
335.447
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| Canonical SMILES |
CC1CC(OC(C)=O)(C#Cc2cccc3ccccc23)C(C)CN1C
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| InChI |
InChI=1S/C22H25NO2/c1-16-15-23(4)17(2)14-22(16,25-18(3)24)13-12-20-10-7-9-19-8-5-6-11-21(19)20/h5-11,16-17H,14-15H2,1-4H3
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| InChIKey |
RENBHJFCFJUFID-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: PT03665, Histamine H3 receptor