T2   Click here for help

GtoPdb Ligand ID: 6648

Synonyms: 3,3'-diiodothyronine | T2
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 92.78
Molecular weight 524.89
XLogP 1.83
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)C(Cc1ccc(c(c1)I)Oc1ccc(c(c1)I)O)N
Isomeric SMILES OC(=O)C(Cc1ccc(c(c1)I)Oc1ccc(c(c1)I)O)N
InChI InChI=1S/C15H13I2NO4/c16-10-7-9(2-3-13(10)19)22-14-4-1-8(5-11(14)17)6-12(18)15(20)21/h1-5,7,12,19H,6,18H2,(H,20,21)
InChI Key CPCJBZABTUOGNM-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3-iodophenyl]propanoic acid
Synonyms Click here for help
3,3'-diiodothyronine | T2
Database Links Click here for help
ChEMBL Ligand CHEMBL1743303
GtoPdb PubChem SID 178103261
PubChem CID 65559
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Wikipedia 3,3'-Diiodothyronine