General Information of the Compound
| Compound ID |
CP0435179
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| Compound Name |
2-hydroxy-2-methyl-N-[4-(pentafluoro-lambda6-sulfanyl)phenyl]-3-[2-(trifluoromethyl)phenoxy]propanamide
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| Structure |
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| Formula |
C17H15F8NO3S
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| Molecular Weight |
465.362
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| Canonical SMILES |
CC(O)(COc1ccccc1C(F)(F)F)C(=O)Nc1ccc(cc1)S(F)(F)(F)(F)F
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| InChI |
InChI=1S/C17H15F8NO3S/c1-16(28,10-29-14-5-3-2-4-13(14)17(18,19)20)15(27)26-11-6-8-12(9-7-11)30(21,22,23,24)25/h2-9,28H,10H2,1H3,(H,26,27)
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| InChIKey |
BPQMRZSSLFEMFE-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
Protein ID: PT01486, Androgen receptor
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2