NH-3

Ligand Id: 2633
Ligand name NH-3

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 109.9
Molecular weight 473.18
XLogP 8.28
No. Lipinski's rules broken 1

Molecular properties generated using the CDK


Classification
Compound class Synthetic organic
IUPAC Name
2-[4-[[4-hydroxy-3-[2-(4-nitrophenyl)ethynyl]-5-propan-2-ylphenyl]methyl]-3,5-dimethylphenoxy]acetic acid
Synonyms
2-[4-[[4-hydroxy-3-isopropyl-5-[2-(4-nitrophenyl)ethynyl]phenyl]m‚Äčethyl]-3,5-dimethyl-phenoxy]acetic acid
thyromimetic, 5b
{4-[4-Hydroxy-3-isopropyl-5-(4-nitro-phenylethynyl)-benzyl]-3,5-dimethyl-phenoxy}-acetic acid(NH-3)
{4-[4-Hydroxy-3-isopropyl-5-(4-nitrophenylethynyl)benzyl]-3,5-dimethylphenoxy}acetic Acid
Database Links
BindingDB Ligand 18885
ChEMBL Ligand 284865
PubChem CID 10027822
Search Google for chemical match using the InChIKey IXMROOKFPWGDGF-UHFFFAOYSA-N
Search Google for chemicals with the same backbone IXMROOKFPWGDGF
ZINC ZINC01553114