General Information of the Compound
| Compound ID |
CP0398539
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| Compound Name |
8-(2-(1-(4-tert-butylphenyl)-2-methylpropan-2-ylamino)-1-hydroxyethyl)-5-hydroxy-2H-benzo[b][1,4]oxazin-3(4H)-one
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| Structure |
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| Formula |
C24H32N2O4
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| Molecular Weight |
412.53
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| Canonical SMILES |
CC(C)(Cc1ccc(cc1)C(C)(C)C)NCC(O)c1ccc(O)c2NC(=O)COc12
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| InChI |
InChI=1S/C24H32N2O4/c1-23(2,3)16-8-6-15(7-9-16)12-24(4,5)25-13-19(28)17-10-11-18(27)21-22(17)30-14-20(29)26-21/h6-11,19,25,27-28H,12-14H2,1-5H3,(H,26,29)
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| InChIKey |
SKZDPAAFWZKONG-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