General Information of the Compound
| Compound ID |
CP0407459
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| Compound Name |
N-[4-(3-bromoanilino)quinazolin-6-yl]-2-phenoxyacetamide
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| Structure |
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| Formula |
C22H17BrN4O2
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| Molecular Weight |
449.308
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| Canonical SMILES |
Brc1cccc(Nc2ncnc3ccc(NC(=O)COc4ccccc4)cc23)c1
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| InChI |
InChI=1S/C22H17BrN4O2/c23-15-5-4-6-16(11-15)27-22-19-12-17(9-10-20(19)24-14-25-22)26-21(28)13-29-18-7-2-1-3-8-18/h1-12,14H,13H2,(H,26,28)(H,24,25,27)
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| InChIKey |
KAVYNTVJFQWLDL-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