regrelor

Ligand id: 1770

Name: regrelor

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 14
Hydrogen bond donors 4
Rotatable bonds 10
Topological polar surface area 188.99
Molecular weight 532.15
XLogP 1.82
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
[(2S,3aR,4R,6R,6aR)-6-[6-(ethylcarbamoylamino)purin-9-yl]-2-[(E)-2-phenylethenyl]-3a,4,6,6a-tetrahydrofuro[4,3-d][1,3]dioxol-4-yl]methyl dihydrogen phosphate
International Nonproprietary Names
INN number INN
8830 regrelor
Synonyms
INS 50589 | INS-50589 | INS50589
Database Links
CAS Registry No. 787548-03-2 (source: Scifinder)
ChEMBL Ligand CHEMBL1162175
PubChem CID 11273179
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Search UniChem for chemical match using the InChIKey NXHAXEBZOXCDKD-XIXRRVGJSA-N
Search UniChem for chemicals with the same backbone NXHAXEBZOXCDKD