General Information of the Compound
| Compound ID |
CP0884853
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| Compound Name |
3-[2-(4-{[6-({(2R)-2-Hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl}amino)hexyl]oxy}butyl)phenyl]-2,4-imidazolidinedione
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| Structure |
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| Formula |
C28H39N3O6
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| Molecular Weight |
513.635
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| Canonical SMILES |
O=C1CNC(=O)N1c1ccccc1CCCCOCCCCCCNC[C@H](O)c1ccc(O)c(CO)c1
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| InChI |
InChI=1S/C28H39N3O6/c32-20-23-17-22(12-13-25(23)33)26(34)18-29-14-6-1-2-7-15-37-16-8-5-10-21-9-3-4-11-24(21)31-27(35)19-30-28(31)36/h3-4,9,11-13,17,26,29,32-34H,1-2,5-8,10,14-16,18-20H2,(H,30,36)/t26-/m0/s1
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| InChIKey |
GJLISRCTOUPOQN-SANMLTNESA-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