General Information of the Compound
| Compound ID |
CP0368963
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| Compound Name |
N-[3-fluoro-4-[[7-[(1-methylazetidin-3-yl)methyl]-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 |
C32H33F2N7O4
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| Molecular Weight |
617.657
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| Canonical SMILES |
CC(C)n1cc(C(=O)Nc2ccc(Oc3ncnc4CN(CC5CN(C)C5)CCc34)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
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| InChI |
InChI=1S/C32H33F2N7O4/c1-19(2)40-16-25(31(43)41(32(40)44)23-7-4-21(33)5-8-23)29(42)37-22-6-9-28(26(34)12-22)45-30-24-10-11-39(15-20-13-38(3)14-20)17-27(24)35-18-36-30/h4-9,12,16,18-20H,10-11,13-15,17H2,1-3H3,(H,37,42)
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| InChIKey |
ATNVOCQRWNYCHO-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