General Information of the Compound
| Compound ID |
CP0172920
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| Compound Name |
5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-3-methyl-2-(phenylamino)-3,4-dihydropyrimidin-4-one
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| Structure |
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| Formula |
C28H23FN4O4
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| Molecular Weight |
498.514
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| Canonical SMILES |
COc1cc2nccc(Oc3ccc(cc3F)-c3cnc(Nc4ccccc4)n(C)c3=O)c2cc1OC
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| InChI |
InChI=1S/C28H23FN4O4/c1-33-27(34)20(16-31-28(33)32-18-7-5-4-6-8-18)17-9-10-24(21(29)13-17)37-23-11-12-30-22-15-26(36-3)25(35-2)14-19(22)23/h4-16H,1-3H3,(H,31,32)
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| InChIKey |
BJPFHTCZRZBWRU-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