General Information of the Compound
| Compound ID |
CP0493637
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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-cyano-phenyl)-acetamide
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| Structure |
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| Formula |
C26H17ClN4O3
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| Molecular Weight |
468.9
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| Canonical SMILES |
Cc1onc2c1c(=O)n(-c1cccc(CC(=O)Nc3ccc(cc3)C#N)c1)c1cccc(Cl)c21
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| InChI |
InChI=1S/C26H17ClN4O3/c1-15-23-25(30-34-15)24-20(27)6-3-7-21(24)31(26(23)33)19-5-2-4-17(12-19)13-22(32)29-18-10-8-16(14-28)9-11-18/h2-12H,13H2,1H3,(H,29,32)
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| InChIKey |
OIJRANHRCJBGFV-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