General Information of the Compound
| Compound ID |
CP0549434
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| Compound Name |
4-(1-cyclobutyl-2,2,2-trifluoro-1-hydroxyethyl)-2-(trifluoromethyl)benzonitrile
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| Structure |
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| Formula |
C14H11F6NO
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| Molecular Weight |
323.236
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| Canonical SMILES |
OC(C1CCC1)(c1ccc(C#N)c(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C14H11F6NO/c15-13(16,17)11-6-10(5-4-8(11)7-21)12(22,14(18,19)20)9-2-1-3-9/h4-6,9,22H,1-3H2
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| InChIKey |
MMMYZRNEJXYROM-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