General Information of the Compound
| Compound ID |
CP0371925
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| Compound Name |
6-hydroxy-8-[1-hydroxy-2-[[2-methyl-1-(4-propan-2-ylphenyl)propan-2-yl]amino]ethyl]-4H-1,4-benzoxazin-3-one
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| Structure |
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| Formula |
C23H30N2O4
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| Molecular Weight |
398.503
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| Canonical SMILES |
CC(C)c1ccc(CC(C)(C)NCC(O)c2cc(O)cc3NC(=O)COc23)cc1
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| InChI |
InChI=1S/C23H30N2O4/c1-14(2)16-7-5-15(6-8-16)11-23(3,4)24-12-20(27)18-9-17(26)10-19-22(18)29-13-21(28)25-19/h5-10,14,20,24,26-27H,11-13H2,1-4H3,(H,25,28)
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| InChIKey |
SEVCOLOSQHILBC-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