General Information of the Compound
| Compound ID |
CP0407629
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| Compound Name |
ethyl 4-[3-[(2,4-dichlorophenyl)methylcarbamoyl]-1-ethyl-6-fluoro-4-oxoquinolin-7-yl]piperazine-1-carboxylate
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| Structure |
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| Formula |
C26H27Cl2FN4O4
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| Molecular Weight |
549.43
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| Canonical SMILES |
CCOC(=O)N1CCN(CC1)c1cc2n(CC)cc(C(=O)NCc3ccc(Cl)cc3Cl)c(=O)c2cc1F
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| InChI |
InChI=1S/C26H27Cl2FN4O4/c1-3-31-15-19(25(35)30-14-16-5-6-17(27)11-20(16)28)24(34)18-12-21(29)23(13-22(18)31)32-7-9-33(10-8-32)26(36)37-4-2/h5-6,11-13,15H,3-4,7-10,14H2,1-2H3,(H,30,35)
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| InChIKey |
XYXRKXIPTLHUGH-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