General Information of the Compound
| Compound ID |
CP0550347
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| Compound Name |
1-(cyclopropylmethyl)-N-[3-fluoro-4-[[7-[(1-methylpiperidin-4-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]phenyl]-3-(5-methylpyridin-2-yl)-2,4-dioxopyrimidine-5-carboxamide
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| Formula |
C35H39FN8O4
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| Molecular Weight |
654.747
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| Canonical SMILES |
CN1CCC(CN2CCc3c(C2)ncnc3Oc2ccc(NC(=O)c3cn(CC4CC4)c(=O)n(-c4ccc(C)cn4)c3=O)cc2F)CC1
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| InChI |
InChI=1S/C35H39FN8O4/c1-22-3-8-31(37-16-22)44-34(46)27(19-43(35(44)47)18-23-4-5-23)32(45)40-25-6-7-30(28(36)15-25)48-33-26-11-14-42(20-29(26)38-21-39-33)17-24-9-12-41(2)13-10-24/h3,6-8,15-16,19,21,23-24H,4-5,9-14,17-18,20H2,1-2H3,(H,40,45)
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| InChIKey |
YLKNZRZBRWCKRM-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