General Information of the Compound
| Compound ID |
CP0539200
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| Compound Name |
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)-1-(2-methylpropyl)-2,4-dioxopyrimidine-5-carboxamide
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| Formula |
C35H39F2N7O4
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| Molecular Weight |
659.738
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| Canonical SMILES |
CC(C)Cn1cc(C(=O)Nc2ccc(Oc3ncnc4CN(CC5CCN(C)CC5)CCc34)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
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| InChI |
InChI=1S/C35H39F2N7O4/c1-22(2)17-43-19-28(34(46)44(35(43)47)26-7-4-24(36)5-8-26)32(45)40-25-6-9-31(29(37)16-25)48-33-27-12-15-42(20-30(27)38-21-39-33)18-23-10-13-41(3)14-11-23/h4-9,16,19,21-23H,10-15,17-18,20H2,1-3H3,(H,40,45)
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| InChIKey |
GKKZRQXWOXFPPU-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