General Information of the Compound
| Compound ID |
CP0522725
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| Compound Name |
(R)-2-fluoro-5-(3-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)ethyl)phenoxy)benzoic acid
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| Structure |
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| Formula |
C22H21FN2O4
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| Molecular Weight |
396.418
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| Canonical SMILES |
O[C@@H](CNCCc1cccc(Oc2ccc(F)c(c2)C(O)=O)c1)c1cccnc1
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| InChI |
InChI=1S/C22H21FN2O4/c23-20-7-6-18(12-19(20)22(27)28)29-17-5-1-3-15(11-17)8-10-25-14-21(26)16-4-2-9-24-13-16/h1-7,9,11-13,21,25-26H,8,10,14H2,(H,27,28)/t21-/m0/s1
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| InChIKey |
YCOKEYJAJQFCRF-NRFANRHFSA-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: PT01493, Beta-3 adrenergic receptor