General Information of the Compound
| Compound ID |
CP0550345
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| Compound Name |
N-[4-[[7-[1-(cyclopropylmethyl)piperidin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
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| Formula |
C36H39F2N7O4
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| Molecular Weight |
671.749
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| Canonical SMILES |
CC(C)n1cc(C(=O)Nc2ccc(Oc3ncnc4CN(CCc34)C3CCN(CC4CC4)CC3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
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| InChI |
InChI=1S/C36H39F2N7O4/c1-22(2)44-19-29(35(47)45(36(44)48)27-8-5-24(37)6-9-27)33(46)41-25-7-10-32(30(38)17-25)49-34-28-13-16-43(20-31(28)39-21-40-34)26-11-14-42(15-12-26)18-23-3-4-23/h5-10,17,19,21-23,26H,3-4,11-16,18,20H2,1-2H3,(H,41,46)
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| InChIKey |
GINRVSOEUKVVID-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