iodoaminopotentidine

Ligand id: 1232

Name: iodoaminopotentidine

Abbreviated name: I-APT

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 14
Topological polar surface area 127.8
Molecular weight 603.18
XLogP 4
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-amino-N-[2-[[N-cyano-N'-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]carbamimidoyl]amino]ethyl]-3-iodobenzamide
Database Links
CAS Registry No. 126632-01-7 (source: Scifinder)
ChEMBL Ligand CHEMBL72193
PubChem CID 181461
Search Google for chemical match using the InChIKey VJTYCMQYDRXNNY-UHFFFAOYSA-N
Search Google for chemicals with the same backbone VJTYCMQYDRXNNY
Search UniChem for chemical match using the InChIKey VJTYCMQYDRXNNY-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone VJTYCMQYDRXNNY