General Information of the Compound
| Compound ID |
CP0458759
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| Compound Name |
N-[4-[[6-(benzenesulfonamido)pyridin-3-yl]amino]-7-methoxyquinazolin-6-yl]propanamide
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| Structure |
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| Formula |
C23H22N6O4S
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| Molecular Weight |
478.534
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| Canonical SMILES |
CCC(=O)Nc1cc2c(Nc3ccc(NS(=O)(=O)c4ccccc4)nc3)ncnc2cc1OC
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| InChI |
InChI=1S/C23H22N6O4S/c1-3-22(30)28-19-11-17-18(12-20(19)33-2)25-14-26-23(17)27-15-9-10-21(24-13-15)29-34(31,32)16-7-5-4-6-8-16/h4-14H,3H2,1-2H3,(H,24,29)(H,28,30)(H,25,26,27)
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| InChIKey |
DIYFLUKUTVHJCO-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