[125I]7-azido-8-iodoketanserine   Click here for help

GtoPdb Ligand ID: 4763

Synonyms: [125I]-7-azido-8-iodoketanserine (photoaffinity ligand) | [125I]azidoiodoketanserin | [125I]AZIK
 Ligand is labelled  Ligand is radioactive
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 87.53
Molecular weight 562.06
XLogP 4.84
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES [N-]=[N+]=Nc1ccc2c(c1I)[nH]c(=O)n(c2=O)CCN1CCC(CC1)C(=O)c1ccc(cc1)F
Isomeric SMILES [N-]=[N+]=Nc1ccc2c(c1[125I])[nH]c(=O)n(c2=O)CCN1CCC(CC1)C(=O)c1ccc(cc1)F
InChI InChI=1S/C22H20FIN6O3/c23-15-3-1-13(2-4-15)20(31)14-7-9-29(10-8-14)11-12-30-21(32)16-5-6-17(27-28-25)18(24)19(16)26-22(30)33/h1-6,14H,7-12H2,(H,26,33)/i24-2
InChI Key OALSEJAYBSRMHM-XXFZXMJFSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
7-azido-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-8-iodanyl-1H-quinazoline-2,4-dione
Synonyms Click here for help
[125I]-7-azido-8-iodoketanserine (photoaffinity ligand) | [125I]azidoiodoketanserin | [125I]AZIK
Database Links Click here for help
GtoPdb PubChem SID 178101472
PubChem CID 3037022
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