General Information of the Compound
| Compound ID |
CP0280352
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| Compound Name |
2-{5-[3-(3-cyano-7-propyl-1H-indol-6-yloxy)propoxy]-indol-1-yl}ethanoic acid
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| Structure |
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| Formula |
C25H25N3O4
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| Molecular Weight |
431.492
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| Canonical SMILES |
CCCc1c(OCCCOc2ccc3n(CC(O)=O)ccc3c2)ccc2c(c[nH]c12)C#N
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| InChI |
InChI=1S/C25H25N3O4/c1-2-4-21-23(8-6-20-18(14-26)15-27-25(20)21)32-12-3-11-31-19-5-7-22-17(13-19)9-10-28(22)16-24(29)30/h5-10,13,15,27H,2-4,11-12,16H2,1H3,(H,29,30)
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| InChIKey |
UQTWKTKHAGSRJD-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