General Information of the Compound
| Compound ID |
CP0509948
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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-trifluoromethyl-phenyl)-acetamide
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| Structure |
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| Formula |
C26H17ClF3N3O3
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| Molecular Weight |
511.887
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| Canonical SMILES |
Cc1onc2c1c(=O)n(-c1cccc(CC(=O)Nc3ccc(cc3)C(F)(F)F)c1)c1cccc(Cl)c21
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| InChI |
InChI=1S/C26H17ClF3N3O3/c1-14-22-24(32-36-14)23-19(27)6-3-7-20(23)33(25(22)35)18-5-2-4-15(12-18)13-21(34)31-17-10-8-16(9-11-17)26(28,29)30/h2-12H,13H2,1H3,(H,31,34)
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| InChIKey |
HKBOUIVQEWHMRS-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