General Information of the Compound
| Compound ID |
CP0869472
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| Compound Name |
N-(4-bromo-2-methylphenyl)-7-{[(4-methylmorpholin-2-yl)methyl]oxy}-6-(methyloxy)quinazolin-4-amine
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| Structure |
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| Formula |
C22H25BrN4O3
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| Molecular Weight |
473.371
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| Canonical SMILES |
COc1cc2c(Nc3ccc(Br)cc3C)ncnc2cc1OCC1CN(C)CCO1
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| InChI |
InChI=1S/C22H25BrN4O3/c1-14-8-15(23)4-5-18(14)26-22-17-9-20(28-3)21(10-19(17)24-13-25-22)30-12-16-11-27(2)6-7-29-16/h4-5,8-10,13,16H,6-7,11-12H2,1-3H3,(H,24,25,26)
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| InChIKey |
VTKBQOHBYWWZNL-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