General Information of the Compound
| Compound ID |
CP0870890
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| Compound Name |
(R)-1-ethyl-3-(3-(4-(6-(2-hydroxy-2-(4-hydroxy-3-(hydroxymethyl)phenyl)ethylamino)hexyloxy)butyl)benzyl)urea acetate
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| Structure |
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| Formula |
C31H49N3O7
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| Molecular Weight |
575.747
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| Canonical SMILES |
CC(=O)O.CCNC(=O)NCc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1
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| InChI |
InChI=1S/C29H45N3O5.C2H4O2/c1-2-31-29(36)32-20-24-12-9-11-23(18-24)10-5-8-17-37-16-7-4-3-6-15-30-21-28(35)25-13-14-27(34)26(19-25)22-33;1-2(3)4/h9,11-14,18-19,28,30,33-35H,2-8,10,15-17,20-22H2,1H3,(H2,31,32,36);1H3,(H,3,4)/t28-;/m0./s1
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| InChIKey |
DGKFZLACNWTHNL-JCOPYZAKSA-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