MRS5698

Ligand id: 8421

Name: MRS5698

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 6
Topological polar surface area 125.19
Molecular weight 564.15
XLogP 4.11
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(1S,2R,3S,4R,5S)-4-(6-{[(3-chlorophenyl)methyl]amino}-2-[2-(3,4-difluorophenyl)ethynyl]-9H-purin-9-yl)-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide
Synonyms
MRS 5698 | MRS-5698
Database Links
ChEMBL Ligand CHEMBL2064657
PubChem CID 57523213
Search Google for chemical match using the InChIKey LYLLLJJYBWLGHW-CIZVZKTGSA-N
Search Google for chemicals with the same backbone LYLLLJJYBWLGHW
Search UniChem for chemical match using the InChIKey LYLLLJJYBWLGHW-CIZVZKTGSA-N
Search UniChem for chemicals with the same backbone LYLLLJJYBWLGHW