[125I]PD142308

Ligand id: 3472

Name: [125I]PD142308    

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 5
Rotatable bonds 13
Topological polar surface area 146.54
Molecular weight 698.2
XLogP 6.13
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(3S)-3-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]-4-(4-amino-3-iodophenyl)butanoic acid
Database Links
PubChem CID 73755055
Search Google for chemical match using the InChIKey YMNQSYWYYQDKJU-PDZULBFKSA-N
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Search UniChem for chemical match using the InChIKey YMNQSYWYYQDKJU-PDZULBFKSA-N
Search UniChem for chemicals with the same backbone YMNQSYWYYQDKJU