[18F]altanserin   Click here for help

GtoPdb Ligand ID: 3242

Synonyms: [18F]altanserin (PET ligand)
 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 3
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 90.19
Molecular weight 411.14
XLogP 4.61
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=S)[nH]c2c(c1=O)cccc2
Isomeric SMILES [18F]c1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=S)[nH]c2c(c1=O)cccc2
InChI InChI=1S/C22H22FN3O2S/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)/i23-1
InChI Key SMYALUSCZJXWHG-VNRZBHCFSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-[2-(4-{[4-(18F)fluorophenyl]carbonyl}piperidin-1-yl)ethyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one
Synonyms Click here for help
[18F]altanserin (PET ligand)
Database Links Click here for help
GtoPdb PubChem SID 135651121
PubChem CID 5312287
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