XAC-BY630

Ligand id: 3279

Name: XAC-BY630

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 14
Hydrogen bond donors 3
Rotatable bonds 28
Topological polar surface area 191.91
Molecular weight 972.38
XLogP 8.11
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
6-[[2-[4-[(E)-2-[(5Z)-5-[(1-difluoroboranyl-5-thiophen-2-ylpyrrol-2-yl) methylidene]pyrrol-2-yl]ethenyl]phenoxy]acetyl]amino]-N-[2-[[2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetyl]amino]ethyl]hexanamide
Database Links
PubChem CID 73755041
Search Google for chemical match using the InChIKey UTTCRXDXTRTMKH-ZXOXUTKXSA-N
Search Google for chemicals with the same backbone UTTCRXDXTRTMKH
Search UniChem for chemical match using the InChIKey UTTCRXDXTRTMKH-ZXOXUTKXSA-N
Search UniChem for chemicals with the same backbone UTTCRXDXTRTMKH