General Information of the Compound
| Compound ID |
CP0871785
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| Compound Name |
2-{3-[3-(4-{[6-({(2R)-2-Hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl}amino)hexyl]oxy}butyl)phenyl]-2,5-dioxo-1-imidazolidinyl}acetamide acetate salt
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| Structure |
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| Formula |
C32H46N4O9
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| Molecular Weight |
630.739
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| Canonical SMILES |
CC(=O)O.NC(=O)CN1C(=O)CN(c2cccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)c2)C1=O
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| InChI |
InChI=1S/C30H42N4O7.C2H4O2/c31-28(38)19-34-29(39)20-33(30(34)40)25-10-7-9-22(16-25)8-3-6-15-41-14-5-2-1-4-13-32-18-27(37)23-11-12-26(36)24(17-23)21-35;1-2(3)4/h7,9-12,16-17,27,32,35-37H,1-6,8,13-15,18-21H2,(H2,31,38);1H3,(H,3,4)/t27-;/m0./s1
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| InChIKey |
XDGCBYWWQLLSJP-YCBFMBTMSA-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