General Information of the Compound
| Compound ID |
CP0915705
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| Compound Name |
trans-rac-5-(1-(4-(2-(difluoromethoxy)-4-(trifluoromethyl)phenoxy)phenyl)but-2-ynyl)oxazolidine-2,4-dione
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| Structure |
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| Formula |
C21H14F5NO5
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| Molecular Weight |
455.335
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| Canonical SMILES |
CC#C[C@H](c1ccc(Oc2ccc(C(F)(F)F)cc2OC(F)F)cc1)[C@H]1OC(=O)NC1=O
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| InChI |
InChI=1S/C21H14F5NO5/c1-2-3-14(17-18(28)27-20(29)32-17)11-4-7-13(8-5-11)30-15-9-6-12(21(24,25)26)10-16(15)31-19(22)23/h4-10,14,17,19H,1H3,(H,27,28,29)/t14-,17-/m1/s1
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| InChIKey |
IEYUZLGWSIHESL-RHSMWYFYSA-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: PT04613, Free fatty acid receptor 1
Protein ID: PT02793, Free fatty acid receptor 1