General Information of the Compound
| Compound ID |
CP0562289
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| Compound Name |
1-(2-fluoroethyl)-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 |
C33H34F3N7O4
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| Molecular Weight |
649.674
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| Canonical SMILES |
CN1CCC(CN2CCc3c(C2)ncnc3Oc2ccc(NC(=O)c3cn(CCF)c(=O)n(-c4ccc(F)cc4)c3=O)cc2F)CC1
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| InChI |
InChI=1S/C33H34F3N7O4/c1-40-12-8-21(9-13-40)17-41-14-10-25-28(19-41)37-20-38-31(25)47-29-7-4-23(16-27(29)36)39-30(44)26-18-42(15-11-34)33(46)43(32(26)45)24-5-2-22(35)3-6-24/h2-7,16,18,20-21H,8-15,17,19H2,1H3,(H,39,44)
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| InChIKey |
OSQTZXWCOXMSCA-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