General Information of the Compound
| Compound ID |
CP0431424
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| Compound Name |
N-[4-[4-(benzenesulfonamido)anilino]-7-methoxyquinazolin-6-yl]propanamide
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| Structure |
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| Formula |
C24H23N5O4S
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| Molecular Weight |
477.546
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| Canonical SMILES |
CCC(=O)Nc1cc2c(Nc3ccc(NS(=O)(=O)c4ccccc4)cc3)ncnc2cc1OC
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| InChI |
InChI=1S/C24H23N5O4S/c1-3-23(30)28-21-13-19-20(14-22(21)33-2)25-15-26-24(19)27-16-9-11-17(12-10-16)29-34(31,32)18-7-5-4-6-8-18/h4-15,29H,3H2,1-2H3,(H,28,30)(H,25,26,27)
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| InChIKey |
XILHUDGNEDEXFJ-UHFFFAOYSA-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