General Information of the Compound
| Compound ID |
CP0563667
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| Compound Name |
3-(4-fluorophenyl)-N-[4-[6-[(3-hydroxyazetidine-1-carbonyl)amino]pyrimidin-4-yl]oxyphenyl]-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
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| Formula |
C28H26FN7O6
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| Molecular Weight |
575.557
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| Canonical SMILES |
CC(C)n1cc(C(=O)Nc2ccc(Oc3cc(NC(=O)N4CC(O)C4)ncn3)cc2)c(=O)n(-c2ccc(F)cc2)c1=O
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| InChI |
InChI=1S/C28H26FN7O6/c1-16(2)35-14-22(26(39)36(28(35)41)19-7-3-17(29)4-8-19)25(38)32-18-5-9-21(10-6-18)42-24-11-23(30-15-31-24)33-27(40)34-12-20(37)13-34/h3-11,14-16,20,37H,12-13H2,1-2H3,(H,32,38)(H,30,31,33,40)
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| InChIKey |
JLUXEIBYLLFPTR-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