General Information of the Compound
| Compound ID |
CP0561936
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| Compound Name |
2-chloro-4-(1-cyclobutyl-2,2,2-trifluoro-1-hydroxyethyl)benzonitrile
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| Structure |
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| Formula |
C13H11ClF3NO
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| Molecular Weight |
289.684
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| Canonical SMILES |
OC(C1CCC1)(c1ccc(C#N)c(Cl)c1)C(F)(F)F
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| InChI |
InChI=1S/C13H11ClF3NO/c14-11-6-10(5-4-8(11)7-18)12(19,13(15,16)17)9-2-1-3-9/h4-6,9,19H,1-3H2
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| InChIKey |
SDXQMCKHQYIEIW-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