General Information of the Compound
| Compound ID |
CP0471273
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| Compound Name |
3-[(2S)-6-(2,5-difluorophenyl)-4-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl]-2,2-dimethylpropanoic acid
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| Structure |
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| Formula |
C26H22F5NO5S
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| Molecular Weight |
555.521
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| Canonical SMILES |
CC(C)(C[C@H]1CN(c2cc(ccc2O1)-c1cc(F)ccc1F)S(=O)(=O)c1cccc(c1)C(F)(F)F)C(O)=O
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| InChI |
InChI=1S/C26H22F5NO5S/c1-25(2,24(33)34)13-18-14-32(38(35,36)19-5-3-4-16(11-19)26(29,30)31)22-10-15(6-9-23(22)37-18)20-12-17(27)7-8-21(20)28/h3-12,18H,13-14H2,1-2H3,(H,33,34)/t18-/m0/s1
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| InChIKey |
JAHCCHSUMAYTQT-SFHVURJKSA-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