General Information of the Compound
| Compound ID |
CP0439850
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| Compound Name |
2-[4-[[1-methyl-6-(1-phenylpropylcarbamoyl)-2-propylindol-3-yl]methyl]phenyl]benzoic acid
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| Structure |
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| Formula |
C36H36N2O3
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| Molecular Weight |
544.695
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| Canonical SMILES |
CCCc1c(Cc2ccc(cc2)-c2ccccc2C(O)=O)c2ccc(cc2n1C)C(=O)NC(CC)c1ccccc1
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| InChI |
InChI=1S/C36H36N2O3/c1-4-11-33-31(22-24-16-18-25(19-17-24)28-14-9-10-15-30(28)36(40)41)29-21-20-27(23-34(29)38(33)3)35(39)37-32(5-2)26-12-7-6-8-13-26/h6-10,12-21,23,32H,4-5,11,22H2,1-3H3,(H,37,39)(H,40,41)
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| InChIKey |
KEDCDYJNIWOZOY-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: PT01919, Peroxisome proliferator-activated receptor alpha
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma
Protein ID: PT02973, Peroxisome proliferator-activated receptor gamma
Protein ID: PT01197, Type-1 angiotensin II receptor