General Information of the Compound
Compound ID |
CP0550953
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Compound Name |
2-(2,2-difluoro-1,3-benzodioxol-5-yl)-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 |
C18H8F5N5O4
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Molecular Weight |
453.283
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Canonical SMILES |
FC(F)(F)Oc1ccc(c(c1)-c1nnc(o1)-c1ccc2OC(F)(F)Oc2c1)-n1cncn1
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InChI |
InChI=1S/C18H8F5N5O4/c19-17(20,21)30-10-2-3-12(28-8-24-7-25-28)11(6-10)16-27-26-15(29-16)9-1-4-13-14(5-9)32-18(22,23)31-13/h1-8H
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InChIKey |
PCBGSFFECNVIKO-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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