General Information of the Compound
| Compound ID |
CP0505115
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| Compound Name |
ethyl 4-[1-cyclopropyl-3-[(2,4-dichlorophenyl)methylcarbamoyl]-6-fluoro-4-oxoquinolin-7-yl]piperazine-1-carboxylate
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| Structure |
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| Formula |
C27H27Cl2FN4O4
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| Molecular Weight |
561.441
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| Canonical SMILES |
CCOC(=O)N1CCN(CC1)c1cc2n(cc(C(=O)NCc3ccc(Cl)cc3Cl)c(=O)c2cc1F)C1CC1
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| InChI |
InChI=1S/C27H27Cl2FN4O4/c1-2-38-27(37)33-9-7-32(8-10-33)24-13-23-19(12-22(24)30)25(35)20(15-34(23)18-5-6-18)26(36)31-14-16-3-4-17(28)11-21(16)29/h3-4,11-13,15,18H,2,5-10,14H2,1H3,(H,31,36)
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| InChIKey |
FYKKANRQCHCJGI-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