General Information of the Compound
| Compound ID |
CP0418660
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| Compound Name |
3-(2-(2-hydroxy-2-(5-hydroxy-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-8-yl)ethylamino)-2-methylpropyl)benzoic acid
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| Structure |
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| Formula |
C21H24N2O6
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| Molecular Weight |
400.431
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| Canonical SMILES |
CC(C)(Cc1cccc(c1)C(O)=O)NCC(O)c1ccc(O)c2NC(=O)COc12
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| InChI |
InChI=1S/C21H24N2O6/c1-21(2,9-12-4-3-5-13(8-12)20(27)28)22-10-16(25)14-6-7-15(24)18-19(14)29-11-17(26)23-18/h3-8,16,22,24-25H,9-11H2,1-2H3,(H,23,26)(H,27,28)
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| InChIKey |
UICJAHNVFDQTOS-UHFFFAOYSA-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