General Information of the Compound
| Compound ID |
CP0876760
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| Compound Name |
4-[3'fluoro-5'-(trifluoromethyl)anilino)]-6,7-diethoxyquinazoline hydrochloride
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| Structure |
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| Formula |
C19H18ClF4N3O2
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| Molecular Weight |
431.817
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| Canonical SMILES |
CCOc1cc2ncnc(Nc3cc(F)cc(C(F)(F)F)c3)c2cc1OCC.Cl
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| InChI |
InChI=1S/C19H17F4N3O2.ClH/c1-3-27-16-8-14-15(9-17(16)28-4-2)24-10-25-18(14)26-13-6-11(19(21,22)23)5-12(20)7-13;/h5-10H,3-4H2,1-2H3,(H,24,25,26);1H
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| InChIKey |
KAYIYWSLCUKKOW-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