General Information of the Compound
| Compound ID |
CP0570938
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| Compound Name |
4-(1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)-2-(trifluoromethyl)benzonitrile
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| Structure |
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| Formula |
C11H7F6NO2
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| Molecular Weight |
299.17
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| Canonical SMILES |
OCC(O)(c1ccc(C#N)c(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C11H7F6NO2/c12-10(13,14)8-3-7(2-1-6(8)4-18)9(20,5-19)11(15,16)17/h1-3,19-20H,5H2
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| InChIKey |
HPRKNPPWGZUWAK-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