General Information of the Compound
| Compound ID |
CP0225561
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| Compound Name |
2-{5-[3-(7-propyl-1H-indol-6-yl)propoxy]indol-1-yl}ethanoic acid
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| Structure |
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| Formula |
C24H26N2O4
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| Molecular Weight |
406.482
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| Canonical SMILES |
CCCc1c(OCCCOc2cccc3n(CC(O)=O)ccc23)ccc2cc[nH]c12
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| InChI |
InChI=1S/C24H26N2O4/c1-2-5-19-22(9-8-17-10-12-25-24(17)19)30-15-4-14-29-21-7-3-6-20-18(21)11-13-26(20)16-23(27)28/h3,6-13,25H,2,4-5,14-16H2,1H3,(H,27,28)
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| InChIKey |
CGCPCNSRHIHPCV-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