General Information of the Compound
| Compound ID |
CP0373977
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| Compound Name |
2-(4-((4-(4-(N-Isopropyl-N-methyl)benzamide)-5-(4-(trifluoromethoxy)phenyl)oxazol-2-yl)methoxy)-2-methylphenoxy)acetic Acid
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| Structure |
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| Formula |
C31H29F3N2O7
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| Molecular Weight |
598.574
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| Canonical SMILES |
CC(C)N(C)C(=O)c1ccc(cc1)-c1nc(COc2ccc(OCC(O)=O)c(C)c2)oc1-c1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C31H29F3N2O7/c1-18(2)36(4)30(39)22-7-5-20(6-8-22)28-29(21-9-11-23(12-10-21)43-31(32,33)34)42-26(35-28)16-40-24-13-14-25(19(3)15-24)41-17-27(37)38/h5-15,18H,16-17H2,1-4H3,(H,37,38)
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| InChIKey |
JIUOMOGUVRWPNZ-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