General Information of the Compound
| Compound ID |
CP0553459
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| Compound Name |
1-cyclopentyl-N-[3-fluoro-4-[[7-[(1-methylpiperidin-4-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide
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| Formula |
C36H39F2N7O4
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| Molecular Weight |
671.749
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| Canonical SMILES |
CN1CCC(CN2CCc3c(C2)ncnc3Oc2ccc(NC(=O)c3cn(C4CCCC4)c(=O)n(-c4ccc(F)cc4)c3=O)cc2F)CC1
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| InChI |
InChI=1S/C36H39F2N7O4/c1-42-15-12-23(13-16-42)19-43-17-14-28-31(21-43)39-22-40-34(28)49-32-11-8-25(18-30(32)38)41-33(46)29-20-44(26-4-2-3-5-26)36(48)45(35(29)47)27-9-6-24(37)7-10-27/h6-11,18,20,22-23,26H,2-5,12-17,19,21H2,1H3,(H,41,46)
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| InChIKey |
FUKYTTWUNYCSJG-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