General Information of the Compound
| Compound ID |
CP0317628
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| Compound Name |
3-(4-fluorophenyl)-N-[4-[6-[[3-(methylamino)azetidine-1-carbonyl]amino]pyrimidin-4-yl]oxyphenyl]-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
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| Formula |
C29H29FN8O5
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| Molecular Weight |
588.6
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| Canonical SMILES |
CNC1CN(C1)C(=O)Nc1cc(Oc2ccc(NC(=O)c3cn(C(C)C)c(=O)n(-c4ccc(F)cc4)c3=O)cc2)ncn1
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| InChI |
InChI=1S/C29H29FN8O5/c1-17(2)37-15-23(27(40)38(29(37)42)21-8-4-18(30)5-9-21)26(39)34-19-6-10-22(11-7-19)43-25-12-24(32-16-33-25)35-28(41)36-13-20(14-36)31-3/h4-12,15-17,20,31H,13-14H2,1-3H3,(H,34,39)(H,32,33,35,41)
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| InChIKey |
BOTRGRDIRVJRGQ-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