General Information of the Compound
| Compound ID |
CP0117013
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| Compound Name |
3-[4-[2-[6-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-oxo-1,3-benzothiazol-3-yl]ethoxy]phenyl]-2-ethoxy-N-methylpropanamide
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| Structure |
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| Formula |
C31H34N2O6S
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| Molecular Weight |
562.688
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| Canonical SMILES |
CCOC(Cc1ccc(OCCn2c3ccc(\C=C\c4cc(OC)cc(OC)c4)cc3sc2=O)cc1)C(=O)NC
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| InChI |
InChI=1S/C31H34N2O6S/c1-5-38-28(30(34)32-2)18-21-8-11-24(12-9-21)39-15-14-33-27-13-10-22(19-29(27)40-31(33)35)6-7-23-16-25(36-3)20-26(17-23)37-4/h6-13,16-17,19-20,28H,5,14-15,18H2,1-4H3,(H,32,34)/b7-6+
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| InChIKey |
FVTNIYHCZZDMCS-VOTSOKGWSA-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