General Information of the Compound
| Compound ID |
CP0347476
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| Compound Name |
ethyl 3-[4-[2-[6-[(E)-2-(3,5-dimethoxyphenyl)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 |
C32H32F3NO7S
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| Molecular Weight |
631.669
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| Canonical SMILES |
CCOC(=O)C(Cc1ccc(OCCn2c3ccc(\C=C\c4cc(OC)cc(OC)c4)cc3sc2=O)cc1)OCC(F)(F)F
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| InChI |
InChI=1S/C32H32F3NO7S/c1-4-41-30(37)28(43-20-32(33,34)35)17-21-7-10-24(11-8-21)42-14-13-36-27-12-9-22(18-29(27)44-31(36)38)5-6-23-15-25(39-2)19-26(16-23)40-3/h5-12,15-16,18-19,28H,4,13-14,17,20H2,1-3H3/b6-5+
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| InChIKey |
YUQFGXOAMDWWBP-AATRIKPKSA-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