compound 1 [Overhand et al., 1997]

Ligand id: 3065

Name: compound 1 [Overhand et al., 1997]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 10
Topological polar surface area 146
Molecular weight 376.12
XLogP 1.89
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
[(3E,7E)-4,8,12-trimethyl-1-phosphonatotrideca-3,7,11-trien-1-yl]phosphonate
Database Links
ChEMBL Ligand CHEMBL86513
PubChem CID 19956992
Search Google for chemical match using the InChIKey QBAOBDKNTDWTHR-YFVJMOTDSA-J
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Search UniChem for chemical match using the InChIKey QBAOBDKNTDWTHR-YFVJMOTDSA-J
Search UniChem for chemicals with the same backbone QBAOBDKNTDWTHR