General Information of the Compound
| Compound ID |
CP0235682
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| Compound Name |
ethyl 3-[4-[2-[6-[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]-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 |
C33H32F3NO8S
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| Molecular Weight |
659.679
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| Canonical SMILES |
CCOC(=O)C(Cc1ccc(OCCn2c3ccc(cc3sc2=O)C(=O)\C=C\c2cc(OC)cc(OC)c2)cc1)OCC(F)(F)F
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| InChI |
InChI=1S/C33H32F3NO8S/c1-4-43-31(39)29(45-20-33(34,35)36)17-21-5-9-24(10-6-21)44-14-13-37-27-11-8-23(18-30(27)46-32(37)40)28(38)12-7-22-15-25(41-2)19-26(16-22)42-3/h5-12,15-16,18-19,29H,4,13-14,17,20H2,1-3H3/b12-7+
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| InChIKey |
HBCVRVWVCJKFKN-KPKJPENVSA-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