General Information of the Compound
| Compound ID |
CP0377688
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| Compound Name |
(S)-4'-(2-{[2-Hydroxy-3-(4-hydroxyphenoxy)propyl]amino}ethyl)-2-(isoquinolin-3-yl)acetanilide
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| Structure |
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| Formula |
C28H29N3O4
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| Molecular Weight |
471.557
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(NC(=O)Cc2cc3ccccc3cn2)cc1)COc1ccc(O)cc1
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| InChI |
InChI=1S/C28H29N3O4/c32-25-9-11-27(12-10-25)35-19-26(33)18-29-14-13-20-5-7-23(8-6-20)31-28(34)16-24-15-21-3-1-2-4-22(21)17-30-24/h1-12,15,17,26,29,32-33H,13-14,16,18-19H2,(H,31,34)/t26-/m0/s1
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| InChIKey |
HOIXTVLQWZGFAP-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