General Information of the Compound
| Compound ID |
CP0371868
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| Compound Name |
8-[2-[[1-(3,5-difluorophenyl)-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 |
C20H22F2N2O4
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| Molecular Weight |
392.402
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| Canonical SMILES |
CC(C)(Cc1cc(F)cc(F)c1)NCC(O)c1cc(O)cc2NC(=O)COc12
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| InChI |
InChI=1S/C20H22F2N2O4/c1-20(2,8-11-3-12(21)5-13(22)4-11)23-9-17(26)15-6-14(25)7-16-19(15)28-10-18(27)24-16/h3-7,17,23,25-26H,8-10H2,1-2H3,(H,24,27)
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| InChIKey |
UWQJICGNPSDFOS-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