General Information of the Compound
| Compound ID |
CP0331707
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| Compound Name |
2-(3-chloro-5-fluorophenoxy)-5-(trifluoromethylsulfonyl)benzonitrile
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| Structure |
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| Formula |
C14H6ClF4NO3S
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| Molecular Weight |
379.718
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| Canonical SMILES |
Fc1cc(Cl)cc(Oc2ccc(cc2C#N)S(=O)(=O)C(F)(F)F)c1
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| InChI |
InChI=1S/C14H6ClF4NO3S/c15-9-4-10(16)6-11(5-9)23-13-2-1-12(3-8(13)7-20)24(21,22)14(17,18)19/h1-6H
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| InChIKey |
BUJQBQKGWYDIAF-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