General Information of the Compound
| Compound ID |
CP0957460
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| Compound Name |
N-(3,4-dichlorophenyl)-7-{[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]oxy}-6-(methyloxy)quinazolin-4-amine
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| Structure |
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| Formula |
C24H18Cl2FN3O4
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| Molecular Weight |
502.329
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| Canonical SMILES |
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1cc(F)cc2c1OCOC2
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| InChI |
InChI=1S/C24H18Cl2FN3O4/c1-31-21-7-17-20(28-11-29-24(17)30-16-2-3-18(25)19(26)6-16)8-22(21)33-10-14-5-15(27)4-13-9-32-12-34-23(13)14/h2-8,11H,9-10,12H2,1H3,(H,28,29,30)
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| InChIKey |
AYHZKTTUBQETRW-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