General Information of the Compound
| Compound ID |
CP0467666
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| Compound Name |
(R)-5-(3-(2-(2-(3-chlorophenyl)-2-hydroxyethylamino)ethyl)phenoxy)-2-isopropoxybenzoic acid
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| Structure |
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| Formula |
C26H28ClNO5
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| Molecular Weight |
469.965
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| Canonical SMILES |
CC(C)Oc1ccc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)cc1C(O)=O
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| InChI |
InChI=1S/C26H28ClNO5/c1-17(2)32-25-10-9-22(15-23(25)26(30)31)33-21-8-3-5-18(13-21)11-12-28-16-24(29)19-6-4-7-20(27)14-19/h3-10,13-15,17,24,28-29H,11-12,16H2,1-2H3,(H,30,31)/t24-/m0/s1
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| InChIKey |
KRDKLBROXABSCR-DEOSSOPVSA-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: PT06057, Beta-3 adrenergic receptor
Protein ID: PT01493, Beta-3 adrenergic receptor