General Information of the Compound
| Compound ID |
CP0548489
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| Compound Name |
N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]-2-(2-nitrophenyl)acetamide
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| Structure |
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| Formula |
C23H15F7N2O4
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| Molecular Weight |
516.369
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| Canonical SMILES |
OC(c1ccc(c(F)c1)-c1ccc(NC(=O)Cc2ccccc2[N+]([O-])=O)cc1)(C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C23H15F7N2O4/c24-18-12-15(21(34,22(25,26)27)23(28,29)30)7-10-17(18)13-5-8-16(9-6-13)31-20(33)11-14-3-1-2-4-19(14)32(35)36/h1-10,12,34H,11H2,(H,31,33)
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| InChIKey |
MNVXADPCMINSEC-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: PT02658, Nuclear receptor ROR-alpha
Protein ID: PT02663, Nuclear receptor ROR-gamma
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000048 | PC-3 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 11140 nM
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| CL000141 | LNCaP | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 5140 nM
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