General Information of the Compound
| Compound ID |
CP0442803
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| Compound Name |
(E)-N-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-7-ethoxyquinazolin-6-yl]-4-(4-methylpiperazin-1-yl)but-2-enamide
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| Structure |
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| Formula |
C32H34ClFN6O3
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| Molecular Weight |
605.114
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| Canonical SMILES |
CCOc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCN(C)CC1
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| InChI |
InChI=1S/C32H34ClFN6O3/c1-3-42-30-19-27-25(18-28(30)38-31(41)8-5-11-40-14-12-39(2)13-15-40)32(36-21-35-27)37-24-9-10-29(26(33)17-24)43-20-22-6-4-7-23(34)16-22/h4-10,16-19,21H,3,11-15,20H2,1-2H3,(H,38,41)(H,35,36,37)/b8-5+
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| InChIKey |
LZOXKAMRMJSFJT-VMPITWQZSA-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
Protein ID: PT01159, Receptor tyrosine-protein kinase erbB-4
Protein ID: PT00892, Tyrosine-protein kinase JAK3