General Information of the Compound
| Compound ID |
CP0452194
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| Compound Name |
2-(1-(2-hydroxy-3-(2-isopropylphenoxy)propyl)piperidin-4-yl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
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| Structure |
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| Formula |
C29H32N2O4
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| Molecular Weight |
472.585
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| Canonical SMILES |
CC(C)c1ccccc1OCC(O)CN1CCC(CC1)N1C(=O)c2cccc3cccc(C1=O)c23
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| InChI |
InChI=1S/C29H32N2O4/c1-19(2)23-9-3-4-12-26(23)35-18-22(32)17-30-15-13-21(14-16-30)31-28(33)24-10-5-7-20-8-6-11-25(27(20)24)29(31)34/h3-12,19,21-22,32H,13-18H2,1-2H3
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| InChIKey |
KZQWOLUPIXABFR-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