General Information of the Compound
| Compound ID |
CP0411135
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| Compound Name |
[2-[[4-(3-chloro-4-fluoroanilino)-7-ethoxyquinazolin-6-yl]amino]-2-oxoethyl] benzoate
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| Structure |
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| Formula |
C25H20ClFN4O4
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| Molecular Weight |
494.91
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| Canonical SMILES |
CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)COC(=O)c1ccccc1
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| InChI |
InChI=1S/C25H20ClFN4O4/c1-2-34-22-12-20-17(24(29-14-28-20)30-16-8-9-19(27)18(26)10-16)11-21(22)31-23(32)13-35-25(33)15-6-4-3-5-7-15/h3-12,14H,2,13H2,1H3,(H,31,32)(H,28,29,30)
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| InChIKey |
QFQSZXPWOWHXEP-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