General Information of the Compound
| Compound ID |
CP0333250
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| Compound Name |
(Z)-8-{(2R,3S,4R)-4-Hydroxy-2-[(E)-(R)-3-hydroxy-4-(3-trifluoromethyl-phenoxy)-but-1-enyl]-tetrahydro-furan-3-yl}-oct-6-enoic acid
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| Structure |
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| Formula |
C23H29F3O6
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| Molecular Weight |
458.473
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| Canonical SMILES |
O[C@@H](COc1cccc(c1)C(F)(F)F)\C=C\[C@H]1OC[C@H](O)[C@@H]1C\C=C/CCCCC(O)=O
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| InChI |
InChI=1S/C23H29F3O6/c24-23(25,26)16-7-6-8-18(13-16)31-14-17(27)11-12-21-19(20(28)15-32-21)9-4-2-1-3-5-10-22(29)30/h2,4,6-8,11-13,17,19-21,27-28H,1,3,5,9-10,14-15H2,(H,29,30)/b4-2-,12-11+/t17-,19+,20+,21-/m1/s1
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| InChIKey |
LZIPRNCBZWUUBX-WYULLOFSSA-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