General Information of the Compound
| Compound ID |
CP0388268
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| Compound Name |
2-((1-(3-(2-allylphenoxy)-2-hydroxypropyl)piperidin-4-yl)methyl)isoindoline-1,3-dione
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| Structure |
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| Formula |
C26H30N2O4
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| Molecular Weight |
434.536
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| Canonical SMILES |
OC(COc1ccccc1CC=C)CN1CCC(CN2C(=O)c3ccccc3C2=O)CC1
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| InChI |
InChI=1S/C26H30N2O4/c1-2-7-20-8-3-6-11-24(20)32-18-21(29)17-27-14-12-19(13-15-27)16-28-25(30)22-9-4-5-10-23(22)26(28)31/h2-6,8-11,19,21,29H,1,7,12-18H2
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| InChIKey |
ZRTLUFPYPDJNIH-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