General Information of the Compound
| Compound ID |
CP0419489
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| Compound Name |
2,3-dichloro-4-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-2-yl)benzonitrile
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| Structure |
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| Formula |
C13H12Cl2F3NO
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| Molecular Weight |
326.145
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| Canonical SMILES |
CC(C)CC(O)(c1ccc(C#N)c(Cl)c1Cl)C(F)(F)F
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| InChI |
InChI=1S/C13H12Cl2F3NO/c1-7(2)5-12(20,13(16,17)18)9-4-3-8(6-19)10(14)11(9)15/h3-4,7,20H,5H2,1-2H3
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| InChIKey |
LJVQHXFKJRFYCH-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