General Information of the Compound
| Compound ID |
CP0562288
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| Compound Name |
N-[3-fluoro-4-[[7-[2-(1-methylpiperidin-4-yl)acetyl]-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 |
C35H37F2N7O5
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| Molecular Weight |
673.721
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| Canonical SMILES |
CC(C)n1cc(C(=O)Nc2ccc(Oc3ncnc4CN(CCc34)C(=O)CC3CCN(C)CC3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
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| InChI |
InChI=1S/C35H37F2N7O5/c1-21(2)43-18-27(34(47)44(35(43)48)25-7-4-23(36)5-8-25)32(46)40-24-6-9-30(28(37)17-24)49-33-26-12-15-42(19-29(26)38-20-39-33)31(45)16-22-10-13-41(3)14-11-22/h4-9,17-18,20-22H,10-16,19H2,1-3H3,(H,40,46)
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| InChIKey |
WPBQHEXHVOGJHS-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