General Information of the Compound
| Compound ID |
CP0543325
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| Compound Name |
N-[7-ethoxy-4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-2-fluoroprop-2-enamide
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| Structure |
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| Formula |
C25H21FN8O3
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| Molecular Weight |
500.494
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| Canonical SMILES |
CCOc1cc2ncnc(Nc3ccc(Oc4cc5nncn5cn4)c(C)c3)c2cc1NC(=O)C(F)=C
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| InChI |
InChI=1S/C25H21FN8O3/c1-4-36-21-9-18-17(8-19(21)32-25(35)15(3)26)24(28-11-27-18)31-16-5-6-20(14(2)7-16)37-23-10-22-33-30-13-34(22)12-29-23/h5-13H,3-4H2,1-2H3,(H,32,35)(H,27,28,31)
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| InChIKey |
ZYLWPLCMORTKOJ-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: PT00922, Epidermal growth factor receptor
Protein ID: PT01233, Receptor tyrosine-protein kinase erbB-2