General Information of the Compound
| Compound ID |
CP0542088
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| Compound Name |
6-hydroxy-8-[1-hydroxy-2-[2-(4-methoxyphenyl)ethylamino]ethyl]-4H-1,4-benzoxazin-3-one;hydrochloride
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| Structure |
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| Formula |
C19H23ClN2O5
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| Molecular Weight |
394.855
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| Canonical SMILES |
Cl.COc1ccc(CCNCC(O)c2cc(O)cc3NC(=O)COc23)cc1
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| InChI |
InChI=1S/C19H22N2O5.ClH/c1-25-14-4-2-12(3-5-14)6-7-20-10-17(23)15-8-13(22)9-16-19(15)26-11-18(24)21-16;/h2-5,8-9,17,20,22-23H,6-7,10-11H2,1H3,(H,21,24);1H
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| InChIKey |
UDPYTYLHKILXSJ-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