General Information of the Compound
| Compound ID |
CP0417838
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| Compound Name |
4'-((2,3-dimethyl-5-(2-phenylbutanamido)-1H-indol-1-yl)methyl)biphenyl-2-carboxylic acid
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| Structure |
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| Formula |
C34H32N2O3
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| Molecular Weight |
516.641
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| Canonical SMILES |
CCC(C(=O)Nc1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1)c1ccccc1
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| InChI |
InChI=1S/C34H32N2O3/c1-4-28(25-10-6-5-7-11-25)33(37)35-27-18-19-32-31(20-27)22(2)23(3)36(32)21-24-14-16-26(17-15-24)29-12-8-9-13-30(29)34(38)39/h5-20,28H,4,21H2,1-3H3,(H,35,37)(H,38,39)
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| InChIKey |
LZKKDOUXFIOQEM-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: PT00915, Peroxisome proliferator-activated receptor gamma