General Information of the Compound
| Compound ID |
CP0868081
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| Compound Name |
(6-Trifluoromethylpyridin-3-yl)-[7-(3-trifluoromethylpyridin-2-yl)quinazolin-4-yl]amine Hydrochloride
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| Structure |
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| Formula |
C20H12ClF6N5
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| Molecular Weight |
471.792
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| Canonical SMILES |
Cl.FC(F)(F)c1ccc(Nc2ncnc3cc(-c4ncccc4C(F)(F)F)ccc23)cn1
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| InChI |
InChI=1S/C20H11F6N5.ClH/c21-19(22,23)14-2-1-7-27-17(14)11-3-5-13-15(8-11)29-10-30-18(13)31-12-4-6-16(28-9-12)20(24,25)26;/h1-10H,(H,29,30,31);1H
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| InChIKey |
ZBKCTRRSOIDIRX-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