General Information of the Compound
| Compound ID |
CP0382216
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| Compound Name |
2-[1-benzyl-5-[3-[3-[(4-chlorophenyl)methoxy]phenoxy]propoxy]indol-3-yl]acetic acid
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| Structure |
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| Formula |
C33H30ClNO5
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| Molecular Weight |
556.058
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| Canonical SMILES |
OC(=O)Cc1cn(Cc2ccccc2)c2ccc(OCCCOc3cccc(OCc4ccc(Cl)cc4)c3)cc12
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| InChI |
InChI=1S/C33H30ClNO5/c34-27-12-10-25(11-13-27)23-40-29-9-4-8-28(19-29)38-16-5-17-39-30-14-15-32-31(20-30)26(18-33(36)37)22-35(32)21-24-6-2-1-3-7-24/h1-4,6-15,19-20,22H,5,16-18,21,23H2,(H,36,37)
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| InChIKey |
PCAGDDUBDAYPIT-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