General Information of the Compound
| Compound ID |
CP0539198
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| Compound Name |
N-[3-fluoro-4-[(6-oxo-5,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
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| Formula |
C26H20F2N6O5
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| Molecular Weight |
534.479
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| Canonical SMILES |
CC(C)n1cc(C(=O)Nc2ccc(Oc3ncnc4NC(=O)Cc34)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
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| InChI |
InChI=1S/C26H20F2N6O5/c1-13(2)33-11-18(25(37)34(26(33)38)16-6-3-14(27)4-7-16)23(36)31-15-5-8-20(19(28)9-15)39-24-17-10-21(35)32-22(17)29-12-30-24/h3-9,11-13H,10H2,1-2H3,(H,31,36)(H,29,30,32,35)
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| InChIKey |
AYJMUFFYIOWRRM-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