General Information of the Compound
| Compound ID |
CP0443472
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| Compound Name |
(S)-4'-(2-{[2-Hydroxy-3-(2-benzimidazolon-4-yloxy)-propyl]amino}ethyl)-2-(2-pyridyl)-acetanilide
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| Structure |
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| Formula |
C23H26N4O3
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| Molecular Weight |
406.486
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(NC(=O)Cc2ccccn2)cc1)COc1cccnc1
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| InChI |
InChI=1S/C23H26N4O3/c28-21(17-30-22-5-3-11-24-16-22)15-25-13-10-18-6-8-19(9-7-18)27-23(29)14-20-4-1-2-12-26-20/h1-9,11-12,16,21,25,28H,10,13-15,17H2,(H,27,29)/t21-/m0/s1
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| InChIKey |
AQJCLQHNMBRSSX-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