General Information of the Compound
| Compound ID |
CP0564066
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| Compound Name |
5-[4-propan-2-yl-3-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one
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| Formula |
C12H11F3N2O2
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| Molecular Weight |
272.226
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| Canonical SMILES |
CC(C)c1ccc(cc1C(F)(F)F)-c1n[nH]c(=O)o1
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| InChI |
InChI=1S/C12H11F3N2O2/c1-6(2)8-4-3-7(5-9(8)12(13,14)15)10-16-17-11(18)19-10/h3-6H,1-2H3,(H,17,18)
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| InChIKey |
FTQQVCVDTXTOAX-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