General Information of the Compound
| Compound ID |
CP0498723
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| Compound Name |
5-hydroxy-8-(1-hydroxy-2-(2-methyl-1-(3-(trifluoromethyl)phenyl)propan-2-ylamino)ethyl)-2H-benzo[b][1,4]oxazin-3(4H)-one
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| Structure |
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| Formula |
C21H23F3N2O4
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| Molecular Weight |
424.419
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| Canonical SMILES |
CC(C)(Cc1cccc(c1)C(F)(F)F)NCC(O)c1ccc(O)c2NC(=O)COc12
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| InChI |
InChI=1S/C21H23F3N2O4/c1-20(2,9-12-4-3-5-13(8-12)21(22,23)24)25-10-16(28)14-6-7-15(27)18-19(14)30-11-17(29)26-18/h3-8,16,25,27-28H,9-11H2,1-2H3,(H,26,29)
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| InChIKey |
XFHHEVKRJAUKQU-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