General Information of the Compound
| Compound ID |
CP0556810
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| Compound Name |
1-[3-[(3R)-3-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-3-(4-fluorophenyl)sulfonylpyrrolidine-1-carbonyl]azetidin-1-yl]ethanone
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| Formula |
C32H27F9N2O5S
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| Molecular Weight |
722.626
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| Canonical SMILES |
CC(=O)N1CC(C1)C(=O)N1CC[C@](C1)(c1ccc(cc1)C(OCc1c(F)cccc1F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C32H27F9N2O5S/c1-19(44)43-15-20(16-43)28(45)42-14-13-29(18-42,49(46,47)24-11-9-23(33)10-12-24)21-5-7-22(8-6-21)30(31(36,37)38,32(39,40)41)48-17-25-26(34)3-2-4-27(25)35/h2-12,20H,13-18H2,1H3/t29-/m0/s1
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| InChIKey |
PEHYFVRCRZKMOD-LJAQVGFWSA-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: PT02663, Nuclear receptor ROR-gamma
Protein ID: PT01552, Nuclear receptor subfamily 1 group I member 2