MRS2496

Ligand id: 1723

Name: MRS2496

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 11
Hydrogen bond donors 5
Rotatable bonds 7
Topological polar surface area 190.31
Molecular weight 399.03
XLogP -2.34
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
[2-[(2-chloro-6-methylaminopurin-9-yl)methyl]-3-phosphonopropyl]phosphonic acid
Synonyms
MRS-2496
Database Links
BindingDB Ligand 50121987
CAS Registry No. 491611-67-7 (source: Scifinder)
ChEMBL Ligand CHEMBL153254
PubChem CID 10894633
Search Google for chemical match using the InChIKey FFBIISIICFTESN-UHFFFAOYSA-N
Search Google for chemicals with the same backbone FFBIISIICFTESN
Search UniChem for chemical match using the InChIKey FFBIISIICFTESN-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone FFBIISIICFTESN