General Information of the Compound
| Compound ID |
CP0530795
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| Compound Name |
6-hydroxy-8-[1-hydroxy-2-[3-(3-hydroxyphenyl)propylamino]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.OC(CNCCCc1cccc(O)c1)c1cc(O)cc2NC(=O)COc12
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| InChI |
InChI=1S/C19H22N2O5.ClH/c22-13-5-1-3-12(7-13)4-2-6-20-10-17(24)15-8-14(23)9-16-19(15)26-11-18(25)21-16;/h1,3,5,7-9,17,20,22-24H,2,4,6,10-11H2,(H,21,25);1H
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| InChIKey |
XBYFYVZEQXROHQ-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