General Information of the Compound
| Compound ID |
CP0406192
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| Compound Name |
1-((1-(3-(2-allylphenoxy)-2-hydroxypropyl)piperidin-4-yl)methyl)piperidine-2,6-dione
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| Structure |
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| Formula |
C23H32N2O4
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| Molecular Weight |
400.519
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| Canonical SMILES |
OC(COc1ccccc1CC=C)CN1CCC(CN2C(=O)CCCC2=O)CC1
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| InChI |
InChI=1S/C23H32N2O4/c1-2-6-19-7-3-4-8-21(19)29-17-20(26)16-24-13-11-18(12-14-24)15-25-22(27)9-5-10-23(25)28/h2-4,7-8,18,20,26H,1,5-6,9-17H2
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| InChIKey |
YLVVPHSFBDIKPJ-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: PT01179, Beta-1 adrenergic receptor
Protein ID: PT01494, Beta-2 adrenergic receptor
Protein ID: PT01493, Beta-3 adrenergic receptor