General Information of the Compound
| Compound ID |
CP0406530
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| Compound Name |
2-Phenyl-ethanesulfonic acid (4-{2-[(S)-2-hydroxy-3-(4-hydroxy-phenoxy)-propylamino]-ethyl}-phenyl)-amide
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| Structure |
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| Formula |
C25H30N2O5S
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| Molecular Weight |
470.591
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(NS(=O)(=O)CCc2ccccc2)cc1)COc1ccc(O)cc1
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| InChI |
InChI=1S/C25H30N2O5S/c28-23-10-12-25(13-11-23)32-19-24(29)18-26-16-14-21-6-8-22(9-7-21)27-33(30,31)17-15-20-4-2-1-3-5-20/h1-13,24,26-29H,14-19H2/t24-/m0/s1
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| InChIKey |
WYQUFJJNTIGKQS-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: PT01494, Beta-2 adrenergic receptor