General Information of the Compound
| Compound ID |
CP0558043
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| Compound Name |
3-methyl-4-[2,2,2-trifluoro-1-hydroxy-1-(1,3-oxazol-4-yl)ethyl]-2-(trifluoromethyl)benzonitrile
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| Structure |
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| Formula |
C14H8F6N2O2
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| Molecular Weight |
350.218
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| Canonical SMILES |
Cc1c(ccc(C#N)c1C(F)(F)F)C(O)(c1cocn1)C(F)(F)F
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| InChI |
InChI=1S/C14H8F6N2O2/c1-7-9(3-2-8(4-21)11(7)13(15,16)17)12(23,14(18,19)20)10-5-24-6-22-10/h2-3,5-6,23H,1H3
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| InChIKey |
YRLFPYJZKJJWEX-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