General Information of the Compound
| Compound ID |
CP0385975
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| Compound Name |
2-[1-benzyl-5-[2-[3-[(4-methoxyphenyl)methoxy]phenoxy]ethoxy]indol-3-yl]acetic acid
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| Structure |
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| Formula |
C33H31NO6
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| Molecular Weight |
537.612
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| Canonical SMILES |
COc1ccc(COc2cccc(OCCOc3ccc4n(Cc5ccccc5)cc(CC(O)=O)c4c3)c2)cc1
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| InChI |
InChI=1S/C33H31NO6/c1-37-27-12-10-25(11-13-27)23-40-29-9-5-8-28(19-29)38-16-17-39-30-14-15-32-31(20-30)26(18-33(35)36)22-34(32)21-24-6-3-2-4-7-24/h2-15,19-20,22H,16-18,21,23H2,1H3,(H,35,36)
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| InChIKey |
YGTWCTKFYRNRQE-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