General Information of the Compound
| Compound ID |
CP0467736
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| Compound Name |
N-[4-[2-[[(2S)-3-[3-(acetamidomethyl)phenoxy]-2-hydroxypropyl]amino]ethyl]phenyl]-2-phenylacetamide
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| Structure |
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| Formula |
C28H33N3O4
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| Molecular Weight |
475.589
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| Canonical SMILES |
CC(=O)NCc1cccc(OC[C@@H](O)CNCCc2ccc(NC(=O)Cc3ccccc3)cc2)c1
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| InChI |
InChI=1S/C28H33N3O4/c1-21(32)30-18-24-8-5-9-27(16-24)35-20-26(33)19-29-15-14-22-10-12-25(13-11-22)31-28(34)17-23-6-3-2-4-7-23/h2-13,16,26,29,33H,14-15,17-20H2,1H3,(H,30,32)(H,31,34)/t26-/m0/s1
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| InChIKey |
OEUJCONLPXXQSV-SANMLTNESA-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