General Information of the Compound
| Compound ID |
CP0452274
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| Compound Name |
4'-((3-(methylthio)-5-(2-phenylbutanamido)-2-propyl-1H-indol-1-yl)methyl)biphenyl-2-carboxylic acid
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| Structure |
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| Formula |
C36H36N2O3S
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| Molecular Weight |
576.762
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| Canonical SMILES |
CCCc1c(SC)c2cc(NC(=O)C(CC)c3ccccc3)ccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O
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| InChI |
InChI=1S/C36H36N2O3S/c1-4-11-33-34(42-3)31-22-27(37-35(39)28(5-2)25-12-7-6-8-13-25)20-21-32(31)38(33)23-24-16-18-26(19-17-24)29-14-9-10-15-30(29)36(40)41/h6-10,12-22,28H,4-5,11,23H2,1-3H3,(H,37,39)(H,40,41)
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| InChIKey |
YWRCLPWCJQIOPK-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