General Information of the Compound
| Compound ID |
CP0910373
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| Compound Name |
4-[3'-fluoro-5'-(trifluoromethyl)anilino]-6,7-dimethoxyquinazoline hydrochloride
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| Structure |
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| Formula |
C17H14ClF4N3O2
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| Molecular Weight |
403.763
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| Canonical SMILES |
COc1cc2ncnc(Nc3cc(F)cc(C(F)(F)F)c3)c2cc1OC.Cl
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| InChI |
InChI=1S/C17H13F4N3O2.ClH/c1-25-14-6-12-13(7-15(14)26-2)22-8-23-16(12)24-11-4-9(17(19,20)21)3-10(18)5-11;/h3-8H,1-2H3,(H,22,23,24);1H
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| InChIKey |
AEWJTGHUFCBOAK-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