General Information of the Compound
| Compound ID |
CP0469262
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| Compound Name |
5-[[4-[[6-(3-tert-butyl-4-hydroxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
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| Structure |
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| Formula |
C29H29N3O5S
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| Molecular Weight |
531.634
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| Canonical SMILES |
Cn1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccc(Oc3ccc(O)c(c3)C(C)(C)C)cc12
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| InChI |
InChI=1S/C29H29N3O5S/c1-29(2,3)21-14-19(10-12-24(21)33)37-20-9-11-22-23(15-20)32(4)26(30-22)16-36-18-7-5-17(6-8-18)13-25-27(34)31-28(35)38-25/h5-12,14-15,25,33H,13,16H2,1-4H3,(H,31,34,35)
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| InChIKey |
BSKLWHSTAUOABL-UHFFFAOYSA-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: PT00915, Peroxisome proliferator-activated receptor gamma
Protein ID: PT02513, Steroid hormone receptor ERR1