General Information of the Compound
| Compound ID |
CP0570253
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| Compound Name |
2-methoxy-N-[(E)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]prop-2-enyl]acetamide
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| Structure |
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| Formula |
C26H24N8O3
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| Molecular Weight |
496.531
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| Canonical SMILES |
COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4cc5nncn5cn4)c(C)c3)c2c1
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| InChI |
InChI=1S/C26H24N8O3/c1-17-10-19(6-8-22(17)37-25-12-23-33-31-16-34(23)15-30-25)32-26-20-11-18(5-7-21(20)28-14-29-26)4-3-9-27-24(35)13-36-2/h3-8,10-12,14-16H,9,13H2,1-2H3,(H,27,35)(H,28,29,32)/b4-3+
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| InChIKey |
LRPCGYUQHZRYLM-ONEGZZNKSA-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