General Information of the Compound
| Compound ID |
CP0853348
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| Compound Name |
N-(3-{[(2-{[6-({(2R)-2-Hydroxy-2-[4-hydroxy-3-(hydroxymethyl)-phenyl]-ethyl}amino)hexyl]oxy}ethyl)oxy]methyl}phenyl)methanesulfonamideAcetate Salt
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| Structure |
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| Formula |
C27H42N2O9S
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| Molecular Weight |
570.705
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| Canonical SMILES |
CC(=O)O.CS(=O)(=O)Nc1cccc(COCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1
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| InChI |
InChI=1S/C25H38N2O7S.C2H4O2/c1-35(31,32)27-23-8-6-7-20(15-23)19-34-14-13-33-12-5-3-2-4-11-26-17-25(30)21-9-10-24(29)22(16-21)18-28;1-2(3)4/h6-10,15-16,25-30H,2-5,11-14,17-19H2,1H3;1H3,(H,3,4)/t25-;/m0./s1
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| InChIKey |
KVEWFLGJDBNYAW-UQIIZPHYSA-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