General Information of the Compound
| Compound ID |
CP0386004
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| Compound Name |
2-[1-benzyl-6-[3-[3-[(4-methylphenyl)methoxy]phenoxy]propoxy]indol-3-yl]acetic acid
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| Structure |
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| Formula |
C34H33NO5
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| Molecular Weight |
535.64
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| Canonical SMILES |
Cc1ccc(COc2cccc(OCCCOc3ccc4c(CC(O)=O)cn(Cc5ccccc5)c4c3)c2)cc1
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| InChI |
InChI=1S/C34H33NO5/c1-25-11-13-27(14-12-25)24-40-30-10-5-9-29(20-30)38-17-6-18-39-31-15-16-32-28(19-34(36)37)23-35(33(32)21-31)22-26-7-3-2-4-8-26/h2-5,7-16,20-21,23H,6,17-19,22,24H2,1H3,(H,36,37)
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| InChIKey |
HKEXDKBHQFGUAM-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