General Information of the Compound
| Compound ID |
CP0569329
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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]prop-2-enamide
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| Structure |
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| Formula |
C25H22N8O3
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| Molecular Weight |
482.504
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| Canonical SMILES |
CCOc1cc2ncnc(Nc3ccc(Oc4cc5nncn5cn4)c(C)c3)c2cc1NC(=O)C=C
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| InChI |
InChI=1S/C25H22N8O3/c1-4-23(34)31-19-9-17-18(10-21(19)35-5-2)26-12-27-25(17)30-16-6-7-20(15(3)8-16)36-24-11-22-32-29-14-33(22)13-28-24/h4,6-14H,1,5H2,2-3H3,(H,31,34)(H,26,27,30)
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| InChIKey |
ZNRSOAIMVVRTJR-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