General Information of the Compound
| Compound ID |
CP0476738
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| Compound Name |
(E)-2-methyl-2-(3-(3-(2-(4-methylbenzoyl)-1H-benzo[d]imidazol-1-yl)prop-1-enyl)phenoxy)propanoic acid
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| Structure |
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| Formula |
C28H26N2O4
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| Molecular Weight |
454.526
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| Canonical SMILES |
Cc1ccc(cc1)C(=O)c1nc2ccccc2n1C\C=C\c1cccc(OC(C)(C)C(O)=O)c1
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| InChI |
InChI=1S/C28H26N2O4/c1-19-13-15-21(16-14-19)25(31)26-29-23-11-4-5-12-24(23)30(26)17-7-9-20-8-6-10-22(18-20)34-28(2,3)27(32)33/h4-16,18H,17H2,1-3H3,(H,32,33)/b9-7+
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| InChIKey |
KMHNYIMVDBRUQH-VQHVLOKHSA-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: PT00910, Peroxisome proliferator-activated receptor alpha
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma