General Information of the Compound
| Compound ID |
CP0456138
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| Compound Name |
2-(5-butyl-5-methylbenzo[b][1]benzosilol-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
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| Structure |
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| Formula |
C20H20F6OSi
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| Molecular Weight |
418.453
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| Canonical SMILES |
CCCC[Si]1(C)c2ccccc2-c2cc(ccc12)C(O)(C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C20H20F6OSi/c1-3-4-11-28(2)16-8-6-5-7-14(16)15-12-13(9-10-17(15)28)18(27,19(21,22)23)20(24,25)26/h5-10,12,27H,3-4,11H2,1-2H3
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| InChIKey |
ZCGWLRACIGAJIP-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: PT03033, Nuclear receptor ROR-beta
Protein ID: PT02663, Nuclear receptor ROR-gamma