General Information of the Compound
| Compound ID |
CP0431360
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| Compound Name |
(E)-N-[7-ethoxy-4-[4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]-4-(4-methylpiperazin-1-yl)but-2-enamide
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| Structure |
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| Formula |
C31H35N7O3
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| Molecular Weight |
553.667
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| Canonical SMILES |
CCOc1cc2ncnc(Nc3ccc(OCc4ccccn4)cc3)c2cc1NC(=O)\C=C\CN1CCN(C)CC1
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| InChI |
InChI=1S/C31H35N7O3/c1-3-40-29-20-27-26(19-28(29)36-30(39)8-6-14-38-17-15-37(2)16-18-38)31(34-22-33-27)35-23-9-11-25(12-10-23)41-21-24-7-4-5-13-32-24/h4-13,19-20,22H,3,14-18,21H2,1-2H3,(H,36,39)(H,33,34,35)/b8-6+
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| InChIKey |
JGLZFCYSDWVBJK-SOFGYWHQSA-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