General Information of the Compound
| Compound ID |
CP0456622
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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-ethoxypropanoate
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| Structure |
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| Formula |
C33H35NO8S
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| Molecular Weight |
605.709
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| Canonical SMILES |
CCOC(Cc1ccc(OCCn2c3ccc(cc3sc2=O)C(=O)\C=C\c2cc(OC)cc(OC)c2)cc1)C(=O)OCC
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| InChI |
InChI=1S/C33H35NO8S/c1-5-40-30(32(36)41-6-2)19-22-7-11-25(12-8-22)42-16-15-34-28-13-10-24(20-31(28)43-33(34)37)29(35)14-9-23-17-26(38-3)21-27(18-23)39-4/h7-14,17-18,20-21,30H,5-6,15-16,19H2,1-4H3/b14-9+
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| InChIKey |
PZRQOAPHEGZBPU-NTEUORMPSA-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