General Information of the Compound
| Compound ID |
CP0458760
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| Compound Name |
(E)-N-[4-[[1-(benzenesulfonyl)indol-5-yl]amino]-7-ethoxyquinazolin-6-yl]-4-(dimethylamino)but-2-enamide
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| Structure |
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| Formula |
C30H30N6O4S
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| Molecular Weight |
570.675
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| Canonical SMILES |
CCOc1cc2ncnc(Nc3ccc4n(ccc4c3)S(=O)(=O)c3ccccc3)c2cc1NC(=O)\C=C\CN(C)C
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| InChI |
InChI=1S/C30H30N6O4S/c1-4-40-28-19-25-24(18-26(28)34-29(37)11-8-15-35(2)3)30(32-20-31-25)33-22-12-13-27-21(17-22)14-16-36(27)41(38,39)23-9-6-5-7-10-23/h5-14,16-20H,4,15H2,1-3H3,(H,34,37)(H,31,32,33)/b11-8+
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| InChIKey |
KPSPYNLYPZNCGV-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