General Information of the Compound
| Compound ID |
CP0563154
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| Compound Name |
2-(3-fluoro-4,5-dimethoxyphenyl)-5-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole
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| Structure |
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| Formula |
C19H13F4N5O4
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| Molecular Weight |
451.336
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| Canonical SMILES |
COc1cc(cc(F)c1OC)-c1nnc(o1)-c1cc(OC(F)(F)F)ccc1-n1cncn1
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| InChI |
InChI=1S/C19H13F4N5O4/c1-29-15-6-10(5-13(20)16(15)30-2)17-26-27-18(31-17)12-7-11(32-19(21,22)23)3-4-14(12)28-9-24-8-25-28/h3-9H,1-2H3
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| InChIKey |
DSFYAKSOPUSCOE-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