General Information of the Compound
| Compound ID |
CP0407458
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| Compound Name |
N-[4-(3-bromoanilino)quinazolin-6-yl]-2-(4-fluorophenoxy)acetamide
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| Structure |
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| Formula |
C22H16BrFN4O2
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| Molecular Weight |
467.298
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| Canonical SMILES |
Fc1ccc(OCC(=O)Nc2ccc3ncnc(Nc4cccc(Br)c4)c3c2)cc1
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| InChI |
InChI=1S/C22H16BrFN4O2/c23-14-2-1-3-16(10-14)28-22-19-11-17(6-9-20(19)25-13-26-22)27-21(29)12-30-18-7-4-15(24)5-8-18/h1-11,13H,12H2,(H,27,29)(H,25,26,28)
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| InChIKey |
KHWGVPOXFZQODO-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