General Information of the Compound
| Compound ID |
CP0463673
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| Compound Name |
5-fluoro-2-(4-methylpiperazin-1-yl)-3-[4-(trifluoromethoxy)phenyl]quinazolin-4-one
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| Structure |
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| Formula |
C20H18F4N4O2
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| Molecular Weight |
422.382
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| Canonical SMILES |
CN1CCN(CC1)c1nc2cccc(F)c2c(=O)n1-c1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C20H18F4N4O2/c1-26-9-11-27(12-10-26)19-25-16-4-2-3-15(21)17(16)18(29)28(19)13-5-7-14(8-6-13)30-20(22,23)24/h2-8H,9-12H2,1H3
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| InChIKey |
MGVRUWMFJZXXGU-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