General Information of the Compound
| Compound ID |
CP0435180
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| Compound Name |
2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-3-[3-(pentafluoro-lambda6-sulfanyl)phenoxy]propanamide
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| Structure |
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| Formula |
C17H14F8N2O5S
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| Molecular Weight |
510.359
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| Canonical SMILES |
CC(O)(COc1cccc(c1)S(F)(F)(F)(F)F)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
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| InChI |
InChI=1S/C17H14F8N2O5S/c1-16(29,9-32-11-3-2-4-12(8-11)33(21,22,23,24)25)15(28)26-10-5-6-14(27(30)31)13(7-10)17(18,19)20/h2-8,29H,9H2,1H3,(H,26,28)
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| InChIKey |
WETIBOAWVAXBJA-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
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000119 | DU145 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 7400 nM
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TI
LI
LO
TS
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| CL000141 | LNCaP | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 3300 nM
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TI
LI
LO
TS
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