vipadenant

Ligand id: 5612

Name: vipadenant

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 121.67
Molecular weight 321.13
XLogP 1.48
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-[(4-amino-3-methylphenyl)methyl]-7-furan-2-yltriazolo[5,4-d]pyrimidin-5-amine
International Nonproprietary Names
INN number INN
9329 vipadenant
Synonyms
BIIB 014 | BIIB014 | V2006
Database Links
CAS Registry No. 442908-10-3 (source: Scifinder)
ChEMBL Ligand CHEMBL447664
PubChem CID 21874557
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Search UniChem for chemical match using the InChIKey HQSBCDPYXDGTCL-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone HQSBCDPYXDGTCL