General Information of the Compound
| Compound ID |
CP0961325
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| Compound Name |
2-(2-(1H-1,2,4-triazol-1-yl)-5-(trifluoromethoxy)phenyl)-5-(2-methoxypyridin-4-yl)-1,3,4-oxadiazole
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| Structure |
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| Formula |
C17H11F3N6O3
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| Molecular Weight |
404.308
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| Canonical SMILES |
COc1cc(-c2nnc(-c3cc(OC(F)(F)F)ccc3-n3cncn3)o2)ccn1
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| InChI |
InChI=1S/C17H11F3N6O3/c1-27-14-6-10(4-5-22-14)15-24-25-16(28-15)12-7-11(29-17(18,19)20)2-3-13(12)26-9-21-8-23-26/h2-9H,1H3
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| InChIKey |
QVGARJDDCADCNR-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