General Information of the Compound
| Compound ID |
CP0888673
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| Compound Name |
(R)-1-(3-(4-(6-(2-hydroxy-2-(4-hydroxy-3-(hydroxymethyl)phenyl)ethylamino)hexyloxy)butyl)-5-(trifluoromethyl)phenyl)urea acetate
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| Structure |
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| Formula |
C29H42F3N3O7
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| Molecular Weight |
601.663
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| Canonical SMILES |
CC(=O)O.NC(=O)Nc1cc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc(C(F)(F)F)c1
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| InChI |
InChI=1S/C27H38F3N3O5.C2H4O2/c28-27(29,30)22-13-19(14-23(16-22)33-26(31)37)7-3-6-12-38-11-5-2-1-4-10-32-17-25(36)20-8-9-24(35)21(15-20)18-34;1-2(3)4/h8-9,13-16,25,32,34-36H,1-7,10-12,17-18H2,(H3,31,33,37);1H3,(H,3,4)/t25-;/m0./s1
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| InChIKey |
JVYHUYQWUWTOHZ-UQIIZPHYSA-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