General Information of the Compound
| Compound ID |
CP0387797
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| Compound Name |
(S)-4'-(2-{[2-Hydroxy-3-(4-hydroxyphenoxy)propyl]amino}ethyl)-2-(4-methoxyphenyl)acetanilide
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| Structure |
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| Formula |
C26H30N2O5
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| Molecular Weight |
450.535
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| Canonical SMILES |
COc1ccc(CC(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1
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| InChI |
InChI=1S/C26H30N2O5/c1-32-24-10-4-20(5-11-24)16-26(31)28-21-6-2-19(3-7-21)14-15-27-17-23(30)18-33-25-12-8-22(29)9-13-25/h2-13,23,27,29-30H,14-18H2,1H3,(H,28,31)/t23-/m0/s1
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| InChIKey |
AQLXCWUWNRWFSB-QHCPKHFHSA-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