General Information of the Compound
| Compound ID |
CP0303643
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| Compound Name |
2-bromo-1-(3-chloro-5-fluorophenoxy)-4-(trifluoromethylsulfonyl)benzene
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| Structure |
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| Formula |
C13H6BrClF4O3S
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| Molecular Weight |
433.604
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| Canonical SMILES |
Fc1cc(Cl)cc(Oc2ccc(cc2Br)S(=O)(=O)C(F)(F)F)c1
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| InChI |
InChI=1S/C13H6BrClF4O3S/c14-11-6-10(23(20,21)13(17,18)19)1-2-12(11)22-9-4-7(15)3-8(16)5-9/h1-6H
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| InChIKey |
RUFXDGIIOSRPFV-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