General Information of the Compound
| Compound ID |
CP0465177
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| Compound Name |
N-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-7-methoxyquinazolin-6-yl]propanamide
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| Structure |
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| Formula |
C25H22ClFN4O3
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| Molecular Weight |
480.927
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| Canonical SMILES |
CCC(=O)Nc1cc2c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncnc2cc1OC
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| InChI |
InChI=1S/C25H22ClFN4O3/c1-3-24(32)31-21-11-18-20(12-23(21)33-2)28-14-29-25(18)30-17-7-8-22(19(26)10-17)34-13-15-5-4-6-16(27)9-15/h4-12,14H,3,13H2,1-2H3,(H,31,32)(H,28,29,30)
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| InChIKey |
CXDUFDRGOOEEHL-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