General Information of the Compound
| Compound ID |
CP0086935
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| Compound Name |
alkynyl ether, 23
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| Structure |
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| Formula |
C30H27F3O6S
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| Molecular Weight |
572.601
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| Canonical SMILES |
OCC#CCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12
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| InChI |
InChI=1S/C30H27F3O6S/c31-30(32,33)21-8-10-22(11-9-21)38-18-20-7-13-28(26(17-20)37-16-4-3-15-34)40-27-14-12-25(39-19-29(35)36)23-5-1-2-6-24(23)27/h7-14,17,34H,1-2,5-6,15-16,18-19H2,(H,35,36)
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| InChIKey |
LSQBHBUVOUMWSA-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: PT00910, Peroxisome proliferator-activated receptor alpha
Protein ID: PT00909, Peroxisome proliferator-activated receptor delta
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma