General Information of the Compound
| Compound ID |
CP0371924
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| Compound Name |
6-hydroxy-8-[1-hydroxy-2-[[2-methyl-1-(4-phenylphenyl)propan-2-yl]amino]ethyl]-4H-1,4-benzoxazin-3-one
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| Structure |
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| Formula |
C26H28N2O4
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| Molecular Weight |
432.52
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| Canonical SMILES |
CC(C)(Cc1ccc(cc1)-c1ccccc1)NCC(O)c1cc(O)cc2NC(=O)COc12
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| InChI |
InChI=1S/C26H28N2O4/c1-26(2,14-17-8-10-19(11-9-17)18-6-4-3-5-7-18)27-15-23(30)21-12-20(29)13-22-25(21)32-16-24(31)28-22/h3-13,23,27,29-30H,14-16H2,1-2H3,(H,28,31)
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| InChIKey |
WXZVWAJZFAHQGG-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