[18F]FITM   

GtoPdb Ligand ID: 6213

   
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 99.25
Molecular weight 371.12
XLogP 3.19
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CC(Nc1ncnc(c1)c1csc(n1)N(C(=O)c1ccc(cc1)F)C)C
Isomeric SMILES CC(Nc1ncnc(c1)c1csc(n1)N(C(=O)c1ccc(cc1)[18F])C)C
InChI InChI=1S/C18H18FN5OS/c1-11(2)22-16-8-14(20-10-21-16)15-9-26-18(23-15)24(3)17(25)12-4-6-13(19)7-5-12/h4-11H,1-3H3,(H,20,21,22)/i19-1
InChI Key WIVGIKIKQHUFOD-AWDFDDCISA-N
Classification
Compound class Synthetic organic
IUPAC Name
4-(18F)fluoro-N-methyl-N-(4-{6-[(propan-2-yl)amino]pyrimidin-4-yl}-1,3-thiazol-2-yl)benzamide
Database Links
ChEMBL Ligand CHEMBL1771389
GtoPdb PubChem SID 178102834
PubChem CID 53233900
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