General Information of the Compound
| Compound ID |
CP0073604
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| Compound Name |
N-[4-(3-bromoanilino)quinazolin-6-yl]-2-(2,3,4,5,6-pentafluorophenoxy)acetamide
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| Structure |
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| Formula |
C22H12BrF5N4O2
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| Molecular Weight |
539.258
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| Canonical SMILES |
Fc1c(F)c(F)c(OCC(=O)Nc2ccc3ncnc(Nc4cccc(Br)c4)c3c2)c(F)c1F
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| InChI |
InChI=1S/C22H12BrF5N4O2/c23-10-2-1-3-11(6-10)32-22-13-7-12(4-5-14(13)29-9-30-22)31-15(33)8-34-21-19(27)17(25)16(24)18(26)20(21)28/h1-7,9H,8H2,(H,31,33)(H,29,30,32)
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| InChIKey |
MIODRZONQPVCRF-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
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000157 | NCI-H1975 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 11000 nM
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