General Information of the Compound
Compound ID |
CP0570940
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Compound Name |
3-methyl-4-(1,1,1-trifluoro-2-hydroxy-3-methylbutan-2-yl)-2-(trifluoromethyl)benzonitrile
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Structure |
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Formula |
C14H13F6NO
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Molecular Weight |
325.252
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Canonical SMILES |
CC(C)C(O)(c1ccc(C#N)c(c1C)C(F)(F)F)C(F)(F)F
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InChI |
InChI=1S/C14H13F6NO/c1-7(2)12(22,14(18,19)20)10-5-4-9(6-21)11(8(10)3)13(15,16)17/h4-5,7,22H,1-3H3
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InChIKey |
LVUGWKHGHLIJEV-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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