General Information of the Compound
| Compound ID |
CP0406339
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| Compound Name |
(E)-N-[4-[[1-(benzenesulfonyl)indol-5-yl]amino]-7-ethoxyquinazolin-6-yl]-4-pyrrolidin-1-ylbut-2-enamide
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| Structure |
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| Formula |
C32H32N6O4S
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| Molecular Weight |
596.713
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| Canonical SMILES |
CCOc1cc2ncnc(Nc3ccc4n(ccc4c3)S(=O)(=O)c3ccccc3)c2cc1NC(=O)\C=C\CN1CCCC1
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| InChI |
InChI=1S/C32H32N6O4S/c1-2-42-30-21-27-26(20-28(30)36-31(39)11-8-17-37-15-6-7-16-37)32(34-22-33-27)35-24-12-13-29-23(19-24)14-18-38(29)43(40,41)25-9-4-3-5-10-25/h3-5,8-14,18-22H,2,6-7,15-17H2,1H3,(H,36,39)(H,33,34,35)/b11-8+
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| InChIKey |
IZRQFKYNXNFFQT-DHZHZOJOSA-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