General Information of the Compound
| Compound ID |
CP0235683
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| Compound Name |
ethyl 3-[4-[2-[6-[(E)-3-(3,5-dihydroxyphenyl)prop-2-enoyl]-2-oxo-1,3-benzothiazol-3-yl]ethoxy]phenyl]-2-ethoxypropanoate
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| Structure |
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| Formula |
C31H31NO8S
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| Molecular Weight |
577.655
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| Canonical SMILES |
CCOC(Cc1ccc(OCCn2c3ccc(cc3sc2=O)C(=O)\C=C\c2cc(O)cc(O)c2)cc1)C(=O)OCC
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| InChI |
InChI=1S/C31H31NO8S/c1-3-38-28(30(36)39-4-2)17-20-5-9-25(10-6-20)40-14-13-32-26-11-8-22(18-29(26)41-31(32)37)27(35)12-7-21-15-23(33)19-24(34)16-21/h5-12,15-16,18-19,28,33-34H,3-4,13-14,17H2,1-2H3/b12-7+
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| InChIKey |
MICQTNHRRZDXTM-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