General Information of the Compound
| Compound ID |
CP0377701
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| Compound Name |
(S)-4'-(2-{[2-Hydroxy-3-(4-hydroxyphenoxy)propyl]amino}ethyl)-2-(3-thenyl)acetanilide
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| Structure |
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| Formula |
C23H26N2O4S
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| Molecular Weight |
426.538
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(NC(=O)Cc2ccsc2)cc1)COc1ccc(O)cc1
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| InChI |
InChI=1S/C23H26N2O4S/c26-20-5-7-22(8-6-20)29-15-21(27)14-24-11-9-17-1-3-19(4-2-17)25-23(28)13-18-10-12-30-16-18/h1-8,10,12,16,21,24,26-27H,9,11,13-15H2,(H,25,28)/t21-/m0/s1
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| InChIKey |
CIJDMIDDQAIQKY-NRFANRHFSA-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