General Information of the Compound
| Compound ID |
CP0504027
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| Compound Name |
(S)-4'-(2-{[2-Hydroxy-3-(4-hydroxyphenoxy)propyl]amino}ethyl)-2-(1-naphthyl)acetanilide
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| Structure |
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| Formula |
C29H30N2O4
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| Molecular Weight |
470.569
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(NC(=O)Cc2cccc3ccccc23)cc1)COc1ccc(O)cc1
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| InChI |
InChI=1S/C29H30N2O4/c32-25-12-14-27(15-13-25)35-20-26(33)19-30-17-16-21-8-10-24(11-9-21)31-29(34)18-23-6-3-5-22-4-1-2-7-28(22)23/h1-15,26,30,32-33H,16-20H2,(H,31,34)/t26-/m0/s1
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| InChIKey |
IPYPCQMHTBQKKH-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