AF353   

GtoPdb Ligand ID: 4125

Synonyms: AF 353 | AF-353
Compound class: Synthetic organic
2D Structure
Click here for structure editor
Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 96.28
Molecular weight 400.04
XLogP 3.21
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES COc1cc(C(C)C)c(cc1I)Oc1cnc(nc1N)N
Isomeric SMILES COc1cc(C(C)C)c(cc1I)Oc1cnc(nc1N)N
InChI InChI=1S/C14H17IN4O2/c1-7(2)8-4-11(20-3)9(15)5-10(8)21-12-6-18-14(17)19-13(12)16/h4-7H,1-3H3,(H4,16,17,18,19)
InChI Key AATPYXMXFBBKFO-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine
Synonyms
AF 353 | AF-353
Database Links
CAS Registry No. 865305-30-2 (source: Scifinder)
ChEMBL Ligand CHEMBL526307
GtoPdb PubChem SID 178100947
PubChem CID 15953802
Search Google for chemical match using the InChIKey AATPYXMXFBBKFO-UHFFFAOYSA-N
Search Google for chemicals with the same backbone AATPYXMXFBBKFO
Search UniChem for chemical match using the InChIKey AATPYXMXFBBKFO-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone AATPYXMXFBBKFO