General Information of the Compound
| Compound ID |
CP0431117
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| Compound Name |
N-(1,3-benzodioxol-5-yl)-2-[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)phenyl]acetamide
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| Structure |
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| Formula |
C26H18ClN3O5
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| Molecular Weight |
487.899
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| Canonical SMILES |
Cc1onc2c1c(=O)n(-c1cccc(CC(=O)Nc3ccc4OCOc4c3)c1)c1cccc(Cl)c21
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| InChI |
InChI=1S/C26H18ClN3O5/c1-14-23-25(29-35-14)24-18(27)6-3-7-19(24)30(26(23)32)17-5-2-4-15(10-17)11-22(31)28-16-8-9-20-21(12-16)34-13-33-20/h2-10,12H,11,13H2,1H3,(H,28,31)
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| InChIKey |
LSULXIBJDKNBQA-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