General Information of the Compound
| Compound ID |
CP0564174
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| Compound Name |
1-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]-3-phenylbenzene
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| Formula |
C33H27F7O3S
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| Molecular Weight |
636.629
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| Canonical SMILES |
Fc1ccc(cc1)S(=O)(=O)C1(CCCC1)c1ccc(cc1)C(OCc1cccc(c1)-c1ccccc1)(C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C33H27F7O3S/c34-28-15-17-29(18-16-28)44(41,42)30(19-4-5-20-30)26-11-13-27(14-12-26)31(32(35,36)37,33(38,39)40)43-22-23-7-6-10-25(21-23)24-8-2-1-3-9-24/h1-3,6-18,21H,4-5,19-20,22H2
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| InChIKey |
JLSHRINKIHGEOO-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