General Information of the Compound
| Compound ID |
CP0468957
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| Compound Name |
6-hydroxy-8-[1-hydroxy-2-[3-(2-methoxyphenyl)propylamino]ethyl]-4H-1,4-benzoxazin-3-one;hydrochloride
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| Structure |
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| Formula |
C20H25ClN2O5
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| Molecular Weight |
408.882
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| Canonical SMILES |
Cl.COc1ccccc1CCCNCC(O)c1cc(O)cc2NC(=O)COc12
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| InChI |
InChI=1S/C20H24N2O5.ClH/c1-26-18-7-3-2-5-13(18)6-4-8-21-11-17(24)15-9-14(23)10-16-20(15)27-12-19(25)22-16;/h2-3,5,7,9-10,17,21,23-24H,4,6,8,11-12H2,1H3,(H,22,25);1H
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| InChIKey |
KMWUNCXUTNTESQ-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