General Information of the Compound
| Compound ID |
CP0246268
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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-ethoxypropanoate
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| Structure |
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| Formula |
C30H31NO7S
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| Molecular Weight |
549.645
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| Canonical SMILES |
CCOC(Cc1ccc(OCCn2c3ccc(\C=C\c4cc(O)cc(O)c4)cc3sc2=O)cc1)C(=O)OCC
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| InChI |
InChI=1S/C30H31NO7S/c1-3-36-27(29(34)37-4-2)17-20-7-10-25(11-8-20)38-14-13-31-26-12-9-21(18-28(26)39-30(31)35)5-6-22-15-23(32)19-24(33)16-22/h5-12,15-16,18-19,27,32-33H,3-4,13-14,17H2,1-2H3/b6-5+
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| InChIKey |
DNVYUYDKHHRBIH-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