General Information of the Compound
| Compound ID |
CP0847188
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| Compound Name |
4-[(1R)-1-Hydroxy-2-({6-[(2-{[(3-hydroxyphenyl)methyl]oxy}-ethyl)oxy]-hexyl}amino)ethyl]-2-(hydroxymethyl)phenol Acetate Salt
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| Structure |
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| Formula |
C26H39NO8
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| Molecular Weight |
493.597
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| Canonical SMILES |
CC(=O)O.OCc1cc([C@@H](O)CNCCCCCCOCCOCc2cccc(O)c2)ccc1O
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| InChI |
InChI=1S/C24H35NO6.C2H4O2/c26-17-21-15-20(8-9-23(21)28)24(29)16-25-10-3-1-2-4-11-30-12-13-31-18-19-6-5-7-22(27)14-19;1-2(3)4/h5-9,14-15,24-29H,1-4,10-13,16-18H2;1H3,(H,3,4)/t24-;/m0./s1
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| InChIKey |
ZJNBWZIOKMHZKH-JIDHJSLPSA-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