General Information of the Compound
| Compound ID |
CP0392554
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| Compound Name |
N-[4-[2-[[(2S)-3-(2-ethylphenoxy)-2-hydroxypropyl]amino]ethyl]phenyl]-2-phenylacetamide
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| Structure |
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| Formula |
C27H32N2O3
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| Molecular Weight |
432.564
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| Canonical SMILES |
CCc1ccccc1OC[C@@H](O)CNCCc1ccc(NC(=O)Cc2ccccc2)cc1
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| InChI |
InChI=1S/C27H32N2O3/c1-2-23-10-6-7-11-26(23)32-20-25(30)19-28-17-16-21-12-14-24(15-13-21)29-27(31)18-22-8-4-3-5-9-22/h3-15,25,28,30H,2,16-20H2,1H3,(H,29,31)/t25-/m0/s1
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| InChIKey |
RGIYWDBMCXOBNF-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