General Information of the Compound
| Compound ID |
CP0464310
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| Compound Name |
diethyl 4-(4-acetamidoanilino)quinoline-3,6-dicarboxylate
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| Structure |
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| Formula |
C23H23N3O5
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| Molecular Weight |
421.453
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| Canonical SMILES |
CCOC(=O)c1ccc2ncc(C(=O)OCC)c(Nc3ccc(NC(C)=O)cc3)c2c1
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| InChI |
InChI=1S/C23H23N3O5/c1-4-30-22(28)15-6-11-20-18(12-15)21(19(13-24-20)23(29)31-5-2)26-17-9-7-16(8-10-17)25-14(3)27/h6-13H,4-5H2,1-3H3,(H,24,26)(H,25,27)
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| InChIKey |
QDRFZGBUDIQUSQ-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