General Information of the Compound
| Compound ID |
CP0406340
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| Compound Name |
(E)-N-[4-[4-(benzenesulfonamido)anilino]-7-ethoxyquinazolin-6-yl]-4-morpholin-4-ylbut-2-enamide
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| Structure |
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| Formula |
C30H32N6O5S
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| Molecular Weight |
588.69
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| Canonical SMILES |
CCOc1cc2ncnc(Nc3ccc(NS(=O)(=O)c4ccccc4)cc3)c2cc1NC(=O)\C=C\CN1CCOCC1
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| InChI |
InChI=1S/C30H32N6O5S/c1-2-41-28-20-26-25(19-27(28)34-29(37)9-6-14-36-15-17-40-18-16-36)30(32-21-31-26)33-22-10-12-23(13-11-22)35-42(38,39)24-7-4-3-5-8-24/h3-13,19-21,35H,2,14-18H2,1H3,(H,34,37)(H,31,32,33)/b9-6+
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| InChIKey |
JEXCBQDTESMXHL-RMKNXTFCSA-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