General Information of the Compound
| Compound ID |
CP0522281
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| Compound Name |
3-ethyl 6-methyl 4-(3-acetylphenylamino)quinoline-3,6-dicarboxylate
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| Structure |
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| Formula |
C22H20N2O5
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| Molecular Weight |
392.411
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| Canonical SMILES |
CCOC(=O)c1cnc2ccc(cc2c1Nc1cccc(c1)C(C)=O)C(=O)OC
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| InChI |
InChI=1S/C22H20N2O5/c1-4-29-22(27)18-12-23-19-9-8-15(21(26)28-3)11-17(19)20(18)24-16-7-5-6-14(10-16)13(2)25/h5-12H,4H2,1-3H3,(H,23,24)
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| InChIKey |
WKUCRZYWCJQVMS-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