General Information of the Compound
| Compound ID |
CP0540560
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| Compound Name |
N-[2-fluoro-3-(trifluoromethyl)phenyl]-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-amine
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| Structure |
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| Formula |
C17H11F4N3O2
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| Molecular Weight |
365.286
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| Canonical SMILES |
Fc1c(Nc2ncnc3cc4OCCOc4cc23)cccc1C(F)(F)F
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| InChI |
InChI=1S/C17H11F4N3O2/c18-15-10(17(19,20)21)2-1-3-11(15)24-16-9-6-13-14(26-5-4-25-13)7-12(9)22-8-23-16/h1-3,6-8H,4-5H2,(H,22,23,24)
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| InChIKey |
CZFKRMGQEUSPRJ-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