General Information of the Compound
| Compound ID |
CP0466998
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| Compound Name |
N-(3,4-dichlorophenyl)-7-[({3-[4-(1,1- dimethylethyl)phenyl]-1,2,4-oxadiazol-5- yl}methyl)oxy]-6-(methyloxy)quinazolin-4- amine
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| Structure |
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| Formula |
C28H25Cl2N5O3
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| Molecular Weight |
550.446
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| Canonical SMILES |
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1nc(no1)-c1ccc(cc1)C(C)(C)C
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| InChI |
InChI=1S/C28H25Cl2N5O3/c1-28(2,3)17-7-5-16(6-8-17)26-34-25(38-35-26)14-37-24-13-22-19(12-23(24)36-4)27(32-15-31-22)33-18-9-10-20(29)21(30)11-18/h5-13,15H,14H2,1-4H3,(H,31,32,33)
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| InChIKey |
ZBNFVHQEUFIFJM-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