General Information of the Compound
| Compound ID |
CP0474045
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| Compound Name |
(S)-4'-(2-{[2-Hydroxy-3-(4-hydroxyphenoxy)propyl]amino}ethyl)-2-(4-chlorophenyl)acetanilide
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| Structure |
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| Formula |
C25H27ClN2O4
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| Molecular Weight |
454.954
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1)COc1ccc(O)cc1
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| InChI |
InChI=1S/C25H27ClN2O4/c26-20-5-1-19(2-6-20)15-25(31)28-21-7-3-18(4-8-21)13-14-27-16-23(30)17-32-24-11-9-22(29)10-12-24/h1-12,23,27,29-30H,13-17H2,(H,28,31)/t23-/m0/s1
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| InChIKey |
VFZWDKCDQQXMIZ-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