General Information of the Compound
| Compound ID |
CP0442421
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| Compound Name |
2-methyl-2-phenoxypropanoic acid, 27
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| Structure |
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| Formula |
C24H23F3N2O4S
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| Molecular Weight |
492.519
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| Canonical SMILES |
CN(Cc1ccc(OC(C)(C)C(O)=O)cc1)C(=O)c1sc(nc1C)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C24H23F3N2O4S/c1-14-19(34-20(28-14)16-7-9-17(10-8-16)24(25,26)27)21(30)29(4)13-15-5-11-18(12-6-15)33-23(2,3)22(31)32/h5-12H,13H2,1-4H3,(H,31,32)
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| InChIKey |
LNPYUCKFDARPOI-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