General Information of the Compound
| Compound ID |
CP0565415
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| Compound Name |
N-[3-fluoro-4-[(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
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| Formula |
C28H26F2N6O4
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| Molecular Weight |
548.55
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| Canonical SMILES |
CC(C)n1cc(C(=O)Nc2ccc(Oc3ncnc4CCN(C)Cc34)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
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| InChI |
InChI=1S/C28H26F2N6O4/c1-16(2)35-14-21(27(38)36(28(35)39)19-7-4-17(29)5-8-19)25(37)33-18-6-9-24(22(30)12-18)40-26-20-13-34(3)11-10-23(20)31-15-32-26/h4-9,12,14-16H,10-11,13H2,1-3H3,(H,33,37)
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| InChIKey |
VEDWRPNOJNKGOL-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