General Information of the Compound
| Compound ID |
CP0554517
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| Compound Name |
3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-yl-N-[4-[6-(pyrrolidine-1-carbonylamino)pyrimidin-4-yl]oxyphenyl]pyrimidine-5-carboxamide
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| Formula |
C29H28FN7O5
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| Molecular Weight |
573.585
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| Canonical SMILES |
CC(C)n1cc(C(=O)Nc2ccc(Oc3cc(NC(=O)N4CCCC4)ncn3)cc2)c(=O)n(-c2ccc(F)cc2)c1=O
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| InChI |
InChI=1S/C29H28FN7O5/c1-18(2)36-16-23(27(39)37(29(36)41)21-9-5-19(30)6-10-21)26(38)33-20-7-11-22(12-8-20)42-25-15-24(31-17-32-25)34-28(40)35-13-3-4-14-35/h5-12,15-18H,3-4,13-14H2,1-2H3,(H,33,38)(H,31,32,34,40)
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| InChIKey |
XSIQDWROCVFQSV-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