General Information of the Compound
| Compound ID |
CP0497109
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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-methoxy-phenyl)-acetamide
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| Structure |
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| Formula |
C26H20ClN3O4
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| Molecular Weight |
473.916
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| Canonical SMILES |
COc1ccc(NC(=O)Cc2cccc(c2)-n2c3cccc(Cl)c3c3noc(C)c3c2=O)cc1
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| InChI |
InChI=1S/C26H20ClN3O4/c1-15-23-25(29-34-15)24-20(27)7-4-8-21(24)30(26(23)32)18-6-3-5-16(13-18)14-22(31)28-17-9-11-19(33-2)12-10-17/h3-13H,14H2,1-2H3,(H,28,31)
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| InChIKey |
LJQBNUBWKBTALY-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