General Information of the Compound
| Compound ID |
CP0906725
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| Compound Name |
4-[(1R)-2-({6-[(2-{[(3,5-Dimethylphenyl)methyl]oxy}ethyl)oxy]-hexyl}-amino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol Acetate Salt
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| Structure |
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| Formula |
C28H43NO7
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| Molecular Weight |
505.652
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| Canonical SMILES |
CC(=O)O.Cc1cc(C)cc(COCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1
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| InChI |
InChI=1S/C26H39NO5.C2H4O2/c1-20-13-21(2)15-22(14-20)19-32-12-11-31-10-6-4-3-5-9-27-17-26(30)23-7-8-25(29)24(16-23)18-28;1-2(3)4/h7-8,13-16,26-30H,3-6,9-12,17-19H2,1-2H3;1H3,(H,3,4)/t26-;/m0./s1
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| InChIKey |
LKTHORNZFCSYDK-SNYZSRNZSA-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