General Information of the Compound
| Compound ID |
CP0423025
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| Compound Name |
2-((S)-7-((R)-2-(3-chlorophenyl)-2-hydroxyethylamino)-5,6,7,8-tetrahydronaphthalen-2-yloxy)acetic acid
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| Structure |
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| Formula |
C20H22ClNO4
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| Molecular Weight |
375.852
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| Canonical SMILES |
O[C@@H](CN[C@H]1CCc2ccc(OCC(O)=O)cc2C1)c1cccc(Cl)c1
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| InChI |
InChI=1S/C20H22ClNO4/c21-16-3-1-2-14(8-16)19(23)11-22-17-6-4-13-5-7-18(10-15(13)9-17)26-12-20(24)25/h1-3,5,7-8,10,17,19,22-23H,4,6,9,11-12H2,(H,24,25)/t17-,19-/m0/s1
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| InChIKey |
PLYWAKPAFSZPAL-HKUYNNGSSA-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