General Information of the Compound
| Compound ID |
CP0421121
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| Compound Name |
2-(3,4-dimethoxyphenyl)-5-[2-(2-methylpyrazol-3-yl)-5-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole
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| Structure |
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| Formula |
C21H17F3N4O4
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| Molecular Weight |
446.385
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| Canonical SMILES |
COc1ccc(cc1OC)-c1nnc(o1)-c1cc(OC(F)(F)F)ccc1-c1ccnn1C
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| InChI |
InChI=1S/C21H17F3N4O4/c1-28-16(8-9-25-28)14-6-5-13(32-21(22,23)24)11-15(14)20-27-26-19(31-20)12-4-7-17(29-2)18(10-12)30-3/h4-11H,1-3H3
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| InChIKey |
LXMFLYVFIITMSH-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