General Information of the Compound
| Compound ID |
CP0860309
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| Compound Name |
3-{[6-(2,3-Dihydro-1-benzofuran-5-yloxy)-1-methyl-1Hbenzimidazol-2-yl]methoxy}benzoic acid Hydrochloride
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| Structure |
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| Formula |
C24H21ClN2O5
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| Molecular Weight |
452.894
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| Canonical SMILES |
Cl.Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3ccc4c(c3)CCO4)cc21
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| InChI |
InChI=1S/C24H20N2O5.ClH/c1-26-21-13-19(31-18-6-8-22-15(11-18)9-10-29-22)5-7-20(21)25-23(26)14-30-17-4-2-3-16(12-17)24(27)28;/h2-8,11-13H,9-10,14H2,1H3,(H,27,28);1H
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| InChIKey |
GXVUGAWTSQLIHF-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