General Information of the Compound
| Compound ID |
CP0372410
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| Compound Name |
(S)-4'-(2-{[2-Hydroxy-3-(4-methylsulfonamidophenoxy)-propyl]amino}ethyl)-2-(2-pyridyl)acetanilide
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| Structure |
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| Formula |
C25H30N4O5S
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| Molecular Weight |
498.605
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| Canonical SMILES |
CS(=O)(=O)Nc1ccc(OC[C@@H](O)CNCCc2ccc(NC(=O)Cc3ccccn3)cc2)cc1
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| InChI |
InChI=1S/C25H30N4O5S/c1-35(32,33)29-21-9-11-24(12-10-21)34-18-23(30)17-26-15-13-19-5-7-20(8-6-19)28-25(31)16-22-4-2-3-14-27-22/h2-12,14,23,26,29-30H,13,15-18H2,1H3,(H,28,31)/t23-/m0/s1
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| InChIKey |
FVCNAFKLLLVRKV-QHCPKHFHSA-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