General Information of the Compound
| Compound ID |
CP0421122
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| Compound Name |
2-(3,4-dimethoxyphenyl)-5-[2-(1H-pyrazol-4-yl)-5-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole
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| Structure |
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| Formula |
C20H15F3N4O4
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| Molecular Weight |
432.358
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| Canonical SMILES |
COc1ccc(cc1OC)-c1nnc(o1)-c1cc(OC(F)(F)F)ccc1-c1cn[nH]c1
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| InChI |
InChI=1S/C20H15F3N4O4/c1-28-16-6-3-11(7-17(16)29-2)18-26-27-19(30-18)15-8-13(31-20(21,22)23)4-5-14(15)12-9-24-25-10-12/h3-10H,1-2H3,(H,24,25)
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| InChIKey |
DVGWGWHJPJFWAO-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