General Information of the Compound
| Compound ID |
CP0509903
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| Compound Name |
N-(3,4-dichlorophenyl)-6-(methyloxy)-7-{[(5- phenyl-1,2,4-oxadiazol-3- yl)methyl]oxy}quinazolin-4-amine
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| Structure |
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| Formula |
C24H17Cl2N5O3
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| Molecular Weight |
494.338
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| Canonical SMILES |
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1noc(n1)-c1ccccc1
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| InChI |
InChI=1S/C24H17Cl2N5O3/c1-32-20-10-16-19(27-13-28-23(16)29-15-7-8-17(25)18(26)9-15)11-21(20)33-12-22-30-24(34-31-22)14-5-3-2-4-6-14/h2-11,13H,12H2,1H3,(H,27,28,29)
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| InChIKey |
ABQLLFONNKQLLB-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