General Information of the Compound
| Compound ID |
CP0487777
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| Compound Name |
2-((1-(3-(2-tert-butyl-4-methoxyphenoxy)-2-hydroxypropyl)piperidin-4-yl)methyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
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| Structure |
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| Formula |
C32H38N2O5
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| Molecular Weight |
530.665
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| Canonical SMILES |
COc1ccc(OCC(O)CN2CCC(CN3C(=O)c4cccc5cccc(C3=O)c45)CC2)c(c1)C(C)(C)C
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| InChI |
InChI=1S/C32H38N2O5/c1-32(2,3)27-17-24(38-4)11-12-28(27)39-20-23(35)19-33-15-13-21(14-16-33)18-34-30(36)25-9-5-7-22-8-6-10-26(29(22)25)31(34)37/h5-12,17,21,23,35H,13-16,18-20H2,1-4H3
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| InChIKey |
CXWOTFGJCKJHPO-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