General Information of the Compound
| Compound ID |
CP0426955
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| Compound Name |
8-[2-[[1-(4-ethoxyphenyl)-2-methylpropan-2-yl]amino]-1-hydroxyethyl]-6-hydroxy-4H-1,4-benzoxazin-3-one
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| Structure |
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| Formula |
C22H28N2O5
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| Molecular Weight |
400.475
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| Canonical SMILES |
CCOc1ccc(CC(C)(C)NCC(O)c2cc(O)cc3NC(=O)COc23)cc1
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| InChI |
InChI=1S/C22H28N2O5/c1-4-28-16-7-5-14(6-8-16)11-22(2,3)23-12-19(26)17-9-15(25)10-18-21(17)29-13-20(27)24-18/h5-10,19,23,25-26H,4,11-13H2,1-3H3,(H,24,27)
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| InChIKey |
JALKRHQYYXOVJR-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