General Information of the Compound
| Compound ID |
CP0443470
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| Compound Name |
(S)-4'-(2-{[2-Hydroxy-3-phenoxypropyl]amino}ethyl)-2-(2-pyridyl)acetanilide
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| Structure |
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| Formula |
C24H27N3O3
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| Molecular Weight |
405.498
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(NC(=O)Cc2ccccn2)cc1)COc1ccccc1
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| InChI |
InChI=1S/C24H27N3O3/c28-22(18-30-23-7-2-1-3-8-23)17-25-15-13-19-9-11-20(12-10-19)27-24(29)16-21-6-4-5-14-26-21/h1-12,14,22,25,28H,13,15-18H2,(H,27,29)/t22-/m0/s1
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| InChIKey |
XNHTXTLINNESCS-QFIPXVFZSA-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: PT01494, Beta-2 adrenergic receptor
Protein ID: PT01493, Beta-3 adrenergic receptor