General Information of the Compound
| Compound ID |
CP0525486
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| Compound Name |
6-hydroxy-8-[1-hydroxy-2-[[4-(3-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.COc1cccc(CCC(C)(C)NCC(O)c2cc(O)cc3NC(=O)COc23)c1
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| InChI |
InChI=1S/C22H28N2O5.ClH/c1-22(2,8-7-14-5-4-6-16(9-14)28-3)23-12-19(26)17-10-15(25)11-18-21(17)29-13-20(27)24-18;/h4-6,9-11,19,23,25-26H,7-8,12-13H2,1-3H3,(H,24,27);1H
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| InChIKey |
LKIVUOYRQDZGFH-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