General Information of the Compound
| Compound ID |
CP0575189
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| Compound Name |
2-chloro-6-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]benzonitrile
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| Structure |
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| Formula |
C16H10ClN3O2
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| Molecular Weight |
311.728
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| Canonical SMILES |
Clc1cccc(COc2ccc(cc2)-c2nnco2)c1C#N
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| InChI |
InChI=1S/C16H10ClN3O2/c17-15-3-1-2-12(14(15)8-18)9-21-13-6-4-11(5-7-13)16-20-19-10-22-16/h1-7,10H,9H2
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| InChIKey |
HJOHAUCZPLKYSW-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