General Information of the Compound
| Compound ID |
CP0208857
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| Compound Name |
alkynyl ether, 37
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| Structure |
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| Formula |
C28H32O5S
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| Molecular Weight |
480.626
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| Canonical SMILES |
CCC#CCOc1cc(COCC2CC2)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12
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| InChI |
InChI=1S/C28H32O5S/c1-2-3-6-15-32-25-16-21(18-31-17-20-9-10-20)11-13-27(25)34-26-14-12-24(33-19-28(29)30)22-7-4-5-8-23(22)26/h11-14,16,20H,2,4-5,7-10,15,17-19H2,1H3,(H,29,30)
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| InChIKey |
XENYHKPTFFTRLB-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