General Information of the Compound
| Compound ID |
CP0501435
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| Compound Name |
2-[3-(9-Chloro-3-methyl-4-oxo-4H-isoxazolo[4,3-c]quinolin-5-yl)-phenyl]-N-(4-hydroxy-3,5-dimethoxy-phenyl)-acetamide
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| Structure |
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| Formula |
C27H22ClN3O6
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| Molecular Weight |
519.941
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| Canonical SMILES |
COc1cc(NC(=O)Cc2cccc(c2)-n2c3cccc(Cl)c3c3noc(C)c3c2=O)cc(OC)c1O
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| InChI |
InChI=1S/C27H22ClN3O6/c1-14-23-25(30-37-14)24-18(28)8-5-9-19(24)31(27(23)34)17-7-4-6-15(10-17)11-22(32)29-16-12-20(35-2)26(33)21(13-16)36-3/h4-10,12-13,33H,11H2,1-3H3,(H,29,32)
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| InChIKey |
OFFLOQYYORWGFF-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