General Information of the Compound
| Compound ID |
CP0388094
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| Compound Name |
(S)-4'-{2-[(2-Hydroxy-3-phenoxypropyl)amino]ethyl}-2-(6-chloro-2-pyridyl)acetanilide
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| Structure |
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| Formula |
C24H26ClN3O3
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| Molecular Weight |
439.943
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(NC(=O)Cc2cccc(Cl)n2)cc1)COc1ccccc1
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| InChI |
InChI=1S/C24H26ClN3O3/c25-23-8-4-5-20(27-23)15-24(30)28-19-11-9-18(10-12-19)13-14-26-16-21(29)17-31-22-6-2-1-3-7-22/h1-12,21,26,29H,13-17H2,(H,28,30)/t21-/m0/s1
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| InChIKey |
ONPJRGJAQQIRSO-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: PT01494, Beta-2 adrenergic receptor
Protein ID: PT01493, Beta-3 adrenergic receptor