General Information of the Compound
| Compound ID |
CP0457276
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| Compound Name |
2-[2-methyl-4-[[5-[4-(trifluoromethyl)phenyl]-1,2-thiazol-3-yl]methylsulfanyl]phenoxy]acetic acid
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| Structure |
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| Formula |
C20H16F3NO3S2
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| Molecular Weight |
439.48
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| Canonical SMILES |
Cc1cc(SCc2cc(sn2)-c2ccc(cc2)C(F)(F)F)ccc1OCC(O)=O
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| InChI |
InChI=1S/C20H16F3NO3S2/c1-12-8-16(6-7-17(12)27-10-19(25)26)28-11-15-9-18(29-24-15)13-2-4-14(5-3-13)20(21,22)23/h2-9H,10-11H2,1H3,(H,25,26)
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| InChIKey |
XDBYOUMFMMQXKM-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