General Information of the Compound
| Compound ID |
CP0394182
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| Compound Name |
6-[2-(tert-butylamino)ethoxy]-N-(3-chloro-4-fluorophenyl)-7-methoxyquinazolin-4-amine
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| Structure |
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| Formula |
C21H24ClFN4O2
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| Molecular Weight |
418.9
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| Canonical SMILES |
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCNC(C)(C)C
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| InChI |
InChI=1S/C21H24ClFN4O2/c1-21(2,3)26-7-8-29-19-10-14-17(11-18(19)28-4)24-12-25-20(14)27-13-5-6-16(23)15(22)9-13/h5-6,9-12,26H,7-8H2,1-4H3,(H,24,25,27)
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| InChIKey |
CMKLELUFUHIGLT-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