General Information of the Compound
| Compound ID |
CP0056261
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| Compound Name |
(1-isopropylpiperidin-4-yl)(4-(piperidin-1-ylmethyl)phenyl)methanone
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| Structure |
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| Formula |
C20H31N3O
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| Molecular Weight |
329.488
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| Canonical SMILES |
CC(C)N1CCN(CC1)C(=O)c1ccc(CN2CCCCC2)cc1
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| InChI |
InChI=1S/C20H31N3O/c1-17(2)22-12-14-23(15-13-22)20(24)19-8-6-18(7-9-19)16-21-10-4-3-5-11-21/h6-9,17H,3-5,10-16H2,1-2H3
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| InChIKey |
DSNALXIKDKGHLJ-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: PT00897, Potassium voltage-gated channel subfamily H member 2