[125I](-)ICYP   

GtoPdb Ligand ID: 540

Synonyms: (-)[125I]iodocyanopindolol
   
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 6
Topological polar surface area 81.07
Molecular weight 399.04
XLogP 2.67
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OC(COc1cccc2c1c(I)c([nH]2)C#N)CNC(C)C
Isomeric SMILES OC(COc1cccc2c1c([125I])c([nH]2)C#N)CNC(C)C
InChI InChI=1S/C15H18IN3O2/c1-9(2)18-7-10(20)8-21-13-5-3-4-11-14(13)15(16)12(6-17)19-11/h3-5,9-10,18-20H,7-8H2,1-2H3/i16-2
InChI Key WGSPBWSPJOBKNT-RFLHHMENSA-N
Classification
Compound class Synthetic organic
IUPAC Name
4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-iodo-1H-indole-2-carbonitrile
Synonyms
(-)[125I]iodocyanopindolol
Database Links
GtoPdb PubChem SID 135651111
PubChem CID 68618
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Wikipedia Iodocyanopindolol