General Information of the Compound
| Compound ID |
CP0542110
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| Compound Name |
6-hydroxy-8-[(1R)-1-hydroxy-2-[[4-(2-methoxyphenyl)-2-methylbutan-2-yl]amino]ethyl]-4H-1,4-benzoxazin-3-one;hydrochloride
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| Structure |
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| Formula |
C22H29ClN2O5
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| Molecular Weight |
436.936
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| Canonical SMILES |
Cl.COc1ccccc1CCC(C)(C)NC[C@H](O)c1cc(O)cc2NC(=O)COc12
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| InChI |
InChI=1S/C22H28N2O5.ClH/c1-22(2,9-8-14-6-4-5-7-19(14)28-3)23-12-18(26)16-10-15(25)11-17-21(16)29-13-20(27)24-17;/h4-7,10-11,18,23,25-26H,8-9,12-13H2,1-3H3,(H,24,27);1H/t18-;/m0./s1
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| InChIKey |
TYLKWSHZYCHATG-FERBBOLQSA-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