General Information of the Compound
| Compound ID |
CP0411133
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| Compound Name |
[4-(3-chloro-4-fluoroanilino)-7-ethoxyquinazolin-6-yl] 3-pyridin-3-ylpropanoate
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| Structure |
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| Formula |
C24H20ClFN4O3
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| Molecular Weight |
466.9
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| Canonical SMILES |
CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC(=O)CCc1cccnc1
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| InChI |
InChI=1S/C24H20ClFN4O3/c1-2-32-21-12-20-17(11-22(21)33-23(31)8-5-15-4-3-9-27-13-15)24(29-14-28-20)30-16-6-7-19(26)18(25)10-16/h3-4,6-7,9-14H,2,5,8H2,1H3,(H,28,29,30)
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| InChIKey |
PZLAJGOCDISSIJ-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