General Information of the Compound
| Compound ID |
CP0024380
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| Compound Name |
2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]acetic acid
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| Synonyms |
3,3',5-triiodothyroacetic acid
TRIAC
tiratricol
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| Structure |
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| Formula |
C14H9I3O4
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| Molecular Weight |
621.934
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| Canonical SMILES |
OC(=O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1
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| InChI |
InChI=1S/C14H9I3O4/c15-9-6-8(1-2-12(9)18)21-14-10(16)3-7(4-11(14)17)5-13(19)20/h1-4,6,18H,5H2,(H,19,20)
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| InChIKey |
UOWZUVNAGUAEQC-UHFFFAOYSA-N
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| CAS |
51-24-1
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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: PT00894, Androgen receptor
Protein ID: PT06095, Hepatic sodium/bile acid cotransporter
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma
Protein ID: PT01930, Retinoic acid receptor RXR-alpha
Protein ID: PT06835, Solute carrier organic anion transporter family member 1C1
Clinical Information about the Compound