[125I]DIV880   Click here for help

GtoPdb Ligand ID: 7771

 Ligand is labelled  Ligand is radioactive
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 10
Topological polar surface area 63.22
Molecular weight 528.1
XLogP 5.29
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES COc1cc(Cc2cc(OC)c(cc2I)OC)c(cc1OC)CC(=O)OC(C)(C)C
Isomeric SMILES COc1cc(Cc2cc(OC)c(cc2[125I])OC)c(cc1OC)CC(=O)OC(C)(C)C
InChI InChI=1S/C23H29IO6/c1-23(2,3)30-22(25)12-15-10-19(27-5)18(26-4)9-14(15)8-16-11-20(28-6)21(29-7)13-17(16)24/h9-11,13H,8,12H2,1-7H3/i24-2
InChI Key UIYQREMVBQNPNM-XXFZXMJFSA-N
Classification Click here for help
Compound class Synthetic organic
Database Links Click here for help
GtoPdb PubChem SID 223366104
PubChem CID 86277837
Search Google for chemical match using the InChIKey UIYQREMVBQNPNM-XXFZXMJFSA-N
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UniChem Compound Search for chemical match using the InChIKey UIYQREMVBQNPNM-XXFZXMJFSA-N
UniChem Connectivity Search for chemical match using the InChIKey UIYQREMVBQNPNM-XXFZXMJFSA-N