General Information of the Compound
| Compound ID |
CP0539199
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| Compound Name |
N-[3-fluoro-4-[[7-(2-morpholin-4-ylacetyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
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| Formula |
C33H33F2N7O6
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| Molecular Weight |
661.666
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| Canonical SMILES |
CC(C)n1cc(C(=O)Nc2ccc(Oc3ncnc4CN(CCc34)C(=O)CN3CCOCC3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
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| InChI |
InChI=1S/C33H33F2N7O6/c1-20(2)41-16-25(32(45)42(33(41)46)23-6-3-21(34)4-7-23)30(44)38-22-5-8-28(26(35)15-22)48-31-24-9-10-40(17-27(24)36-19-37-31)29(43)18-39-11-13-47-14-12-39/h3-8,15-16,19-20H,9-14,17-18H2,1-2H3,(H,38,44)
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| InChIKey |
YTXPYXBASKYQMU-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
Protein ID: PT07205, Tyrosine-protein kinase Mer
Protein ID: PT07477, Tyrosine-protein kinase receptor UFO