General Information of the Compound
| Compound ID |
CP0477731
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| Compound Name |
2-((1-(2-hydroxy-3-(2-isopropylphenoxy)propyl)piperidin-4-yl)methyl)isoindoline-1,3-dione
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| Structure |
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| Formula |
C26H32N2O4
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| Molecular Weight |
436.552
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| Canonical SMILES |
CC(C)c1ccccc1OCC(O)CN1CCC(CN2C(=O)c3ccccc3C2=O)CC1
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| InChI |
InChI=1S/C26H32N2O4/c1-18(2)21-7-5-6-10-24(21)32-17-20(29)16-27-13-11-19(12-14-27)15-28-25(30)22-8-3-4-9-23(22)26(28)31/h3-10,18-20,29H,11-17H2,1-2H3
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| InChIKey |
HTODTPFUFZLFBO-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