General Information of the Compound
| Compound ID |
CP0853349
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| Compound Name |
4-[(1R)-1-Hydroxy-2-({6-[(2-hydroxyethyl)oxy]hexyl}amino)-ethyl]-2-(hydroxymethyl)phenol Acetate Salt
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| Structure |
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| Formula |
C19H33NO7
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| Molecular Weight |
387.473
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| Canonical SMILES |
CC(=O)O.OCCOCCCCCCNC[C@H](O)c1ccc(O)c(CO)c1
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| InChI |
InChI=1S/C17H29NO5.C2H4O2/c19-8-10-23-9-4-2-1-3-7-18-12-17(22)14-5-6-16(21)15(11-14)13-20;1-2(3)4/h5-6,11,17-22H,1-4,7-10,12-13H2;1H3,(H,3,4)/t17-;/m0./s1
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| InChIKey |
CVXARJMJYXZVSG-LMOVPXPDSA-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