General Information of the Compound
| Compound ID |
CP0509902
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| Compound Name |
N-(3,4-dichlorophenyl)-7-({[3-(2,6- dichlorophenyl)-5-methylisoxazol-4- yl]methyl}oxy)-6-(methyloxy)quinazolin-4- amine
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| Structure |
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| Formula |
C26H18Cl4N4O3
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| Molecular Weight |
576.267
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| Canonical SMILES |
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1c(C)onc1-c1c(Cl)cccc1Cl
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| InChI |
InChI=1S/C26H18Cl4N4O3/c1-13-16(25(34-37-13)24-18(28)4-3-5-19(24)29)11-36-23-10-21-15(9-22(23)35-2)26(32-12-31-21)33-14-6-7-17(27)20(30)8-14/h3-10,12H,11H2,1-2H3,(H,31,32,33)
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| InChIKey |
AHIOWTSQFILAEW-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