General Information of the Compound
| Compound ID |
CP0443473
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| Compound Name |
(S)-4'-{2-[(2-Hydroxy-3-phenoxypropyl)amino]ethyl}-2-(6-benzyloxy-2-pyridyl)-acetanilide
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| Structure |
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| Formula |
C31H33N3O4
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| Molecular Weight |
511.622
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(NC(=O)Cc2cccc(OCc3ccccc3)n2)cc1)COc1ccccc1
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| InChI |
InChI=1S/C31H33N3O4/c35-28(23-37-29-11-5-2-6-12-29)21-32-19-18-24-14-16-26(17-15-24)33-30(36)20-27-10-7-13-31(34-27)38-22-25-8-3-1-4-9-25/h1-17,28,32,35H,18-23H2,(H,33,36)/t28-/m0/s1
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| InChIKey |
CFQLFVMTRYHSFZ-NDEPHWFRSA-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