General Information of the Compound
| Compound ID |
CP0140967
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| Compound Name |
2-(4-(3-(quinolin-6-yloxy)propoxy)phenylthio)hexanoic acid
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| Structure |
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| Formula |
C24H27NO4S
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| Molecular Weight |
425.55
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| Canonical SMILES |
CCCCC(Sc1ccc(OCCCOc2ccc3ncccc3c2)cc1)C(O)=O
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| InChI |
InChI=1S/C24H27NO4S/c1-2-3-7-23(24(26)27)30-21-11-8-19(9-12-21)28-15-5-16-29-20-10-13-22-18(17-20)6-4-14-25-22/h4,6,8-14,17,23H,2-3,5,7,15-16H2,1H3,(H,26,27)
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| InChIKey |
NBVFRRBGSXLXMI-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: PT00915, Peroxisome proliferator-activated receptor gamma