General Information of the Compound
| Compound ID |
CP0920911
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| Compound Name |
N-(3,4-dichlorophenyl)-6-(methyloxy)-7-[({5-[4-(methyloxy)phenyl]-1,2,4-oxadiazol-3-yl}methyl)oxy]quinazolin-4-amine
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| Structure |
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| Formula |
C25H19Cl2N5O4
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| Molecular Weight |
524.364
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| Canonical SMILES |
COc1ccc(-c2nc(COc3cc4ncnc(Nc5ccc(Cl)c(Cl)c5)c4cc3OC)no2)cc1
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| InChI |
InChI=1S/C25H19Cl2N5O4/c1-33-16-6-3-14(4-7-16)25-31-23(32-36-25)12-35-22-11-20-17(10-21(22)34-2)24(29-13-28-20)30-15-5-8-18(26)19(27)9-15/h3-11,13H,12H2,1-2H3,(H,28,29,30)
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| InChIKey |
VKCKBMWVXBACHI-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