General Information of the Compound
| Compound ID |
CP0869597
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| Compound Name |
2-(3,4-dimethoxyphenyl)-5-(2-(pyridazin-4-yl)-5-(trifluoromethoxy)phenyl)-1,3,4-oxadiazole
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| Structure |
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| Formula |
C21H15F3N4O4
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| Molecular Weight |
444.369
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| Canonical SMILES |
COc1ccc(-c2nnc(-c3cc(OC(F)(F)F)ccc3-c3ccnnc3)o2)cc1OC
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| InChI |
InChI=1S/C21H15F3N4O4/c1-29-17-6-3-12(9-18(17)30-2)19-27-28-20(31-19)16-10-14(32-21(22,23)24)4-5-15(16)13-7-8-25-26-11-13/h3-11H,1-2H3
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| InChIKey |
AFXYRPLAVTVMAK-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