General Information of the Compound
| Compound ID |
CP0571608
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| Compound Name |
(5Z)-5-[[2,5-dimethyl-1-(4-phenylphenyl)pyrrol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione
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| Structure |
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| Formula |
C22H18N2O2S
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| Molecular Weight |
374.465
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| Canonical SMILES |
Cc1cc(\C=C2/SC(=O)NC2=O)c(C)n1-c1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C22H18N2O2S/c1-14-12-18(13-20-21(25)23-22(26)27-20)15(2)24(14)19-10-8-17(9-11-19)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,23,25,26)/b20-13-
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| InChIKey |
FLXJSXUCSQKTMW-MOSHPQCFSA-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: PT01286, Bile acid receptor
Protein ID: PT00910, Peroxisome proliferator-activated receptor alpha