General Information of the Compound
| Compound ID |
CP0027098
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| Compound Name |
N-[2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-4-(hydroxymethyl)phenyl]-6-fluoro-8-(methylamino)-2-oxo-1H-quinoline-3-carboxamide
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| Structure |
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| Formula |
C27H33FN4O4
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| Molecular Weight |
496.583
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| Canonical SMILES |
CNc1cc(F)cc2cc(C(=O)Nc3ccc(CO)cc3CN(CCO)C3CCCCC3)c(=O)[nH]c12
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| InChI |
InChI=1S/C27H33FN4O4/c1-29-24-14-20(28)12-18-13-22(27(36)31-25(18)24)26(35)30-23-8-7-17(16-34)11-19(23)15-32(9-10-33)21-5-3-2-4-6-21/h7-8,11-14,21,29,33-34H,2-6,9-10,15-16H2,1H3,(H,30,35)(H,31,36)
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| InChIKey |
GRBYGGVWBJIBGB-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