General Information of the Compound
| Compound ID |
CP0432690
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| Compound Name |
(E)-N-[4-[4-(benzenesulfonamido)anilino]-7-ethoxyquinazolin-6-yl]-4-(4-methylpiperazin-1-yl)but-2-enamide
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| Structure |
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| Formula |
C31H35N7O4S
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| Molecular Weight |
601.733
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| Canonical SMILES |
CCOc1cc2ncnc(Nc3ccc(NS(=O)(=O)c4ccccc4)cc3)c2cc1NC(=O)\C=C\CN1CCN(C)CC1
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| InChI |
InChI=1S/C31H35N7O4S/c1-3-42-29-21-27-26(20-28(29)35-30(39)10-7-15-38-18-16-37(2)17-19-38)31(33-22-32-27)34-23-11-13-24(14-12-23)36-43(40,41)25-8-5-4-6-9-25/h4-14,20-22,36H,3,15-19H2,1-2H3,(H,35,39)(H,32,33,34)/b10-7+
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| InChIKey |
PQMINPFSUDRKEW-JXMROGBWSA-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