General Information of the Compound
| Compound ID |
CP0073199
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| Compound Name |
ethyl 3-[4-[2-[6-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-2-oxo-1,3-benzothiazol-3-yl]ethoxy]phenyl]-2-(2,2,2-trifluoroethoxy)propanoate
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| Structure |
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| Formula |
C30H28F3NO7S
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| Molecular Weight |
603.615
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| Canonical SMILES |
CCOC(=O)C(Cc1ccc(OCCn2c3ccc(\C=C\c4cc(O)cc(O)c4)cc3sc2=O)cc1)OCC(F)(F)F
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| InChI |
InChI=1S/C30H28F3NO7S/c1-2-39-28(37)26(41-18-30(31,32)33)15-19-5-8-24(9-6-19)40-12-11-34-25-10-7-20(16-27(25)42-29(34)38)3-4-21-13-22(35)17-23(36)14-21/h3-10,13-14,16-17,26,35-36H,2,11-12,15,18H2,1H3/b4-3+
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| InChIKey |
IZMBESAVJVDNHL-ONEGZZNKSA-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