General Information of the Compound
| Compound ID |
CP0476472
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| Compound Name |
2-[4-(3-iodo-2-nitrophenoxy)phenyl]-1,3,4-oxadiazole
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| Structure |
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| Formula |
C14H8IN3O4
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| Molecular Weight |
409.139
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| Canonical SMILES |
[O-][N+](=O)c1c(I)cccc1Oc1ccc(cc1)-c1nnco1
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| InChI |
InChI=1S/C14H8IN3O4/c15-11-2-1-3-12(13(11)18(19)20)22-10-6-4-9(5-7-10)14-17-16-8-21-14/h1-8H
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| InChIKey |
WDSXFPOBWVVWRC-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
Protein ID: PT02160, Toll-like receptor 7
Protein ID: PT02546, Toll-like receptor 8