General Information of the Compound
| Compound ID |
CP0431169
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| Compound Name |
(S)-4'-{2-[(2-Hydroxy-3-phenoxypropyl)amino]ethyl}-2-(1-phenylimidazol-2-yl)-acetanilide
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| Structure |
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| Formula |
C28H30N4O3
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| Molecular Weight |
470.573
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(NC(=O)Cc2nccn2-c2ccccc2)cc1)COc1ccccc1
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| InChI |
InChI=1S/C28H30N4O3/c33-25(21-35-26-9-5-2-6-10-26)20-29-16-15-22-11-13-23(14-12-22)31-28(34)19-27-30-17-18-32(27)24-7-3-1-4-8-24/h1-14,17-18,25,29,33H,15-16,19-21H2,(H,31,34)/t25-/m0/s1
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| InChIKey |
CVVCQJIRZFNQJV-VWLOTQADSA-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