General Information of the Compound
| Compound ID |
CP0524197
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| Compound Name |
ethyl 1-[3-[(2,4-dichlorophenyl)methylcarbamoyl]-1-ethyl-6-fluoro-4-oxoquinolin-7-yl]piperidine-4-carboxylate
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| Structure |
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| Formula |
C27H28Cl2FN3O4
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| Molecular Weight |
548.442
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| Canonical SMILES |
CCOC(=O)C1CCN(CC1)c1cc2n(CC)cc(C(=O)NCc3ccc(Cl)cc3Cl)c(=O)c2cc1F
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| InChI |
InChI=1S/C27H28Cl2FN3O4/c1-3-32-15-20(26(35)31-14-17-5-6-18(28)11-21(17)29)25(34)19-12-22(30)24(13-23(19)32)33-9-7-16(8-10-33)27(36)37-4-2/h5-6,11-13,15-16H,3-4,7-10,14H2,1-2H3,(H,31,35)
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| InChIKey |
FBRZJFVWQBQHLK-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