[11C]AZ10419369   

GtoPdb Ligand ID: 3926

Synonyms: [11C]AZ10419369 (PET ligand)
   
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 78.26
Molecular weight 462.23
XLogP 3.96
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CN1CCN(CC1)c1ccc(c2c1oc(cc2=O)C(=O)Nc1ccc(cc1)N1CCOCC1)C
Isomeric SMILES [11CH3]N1CCN(CC1)c1ccc(c2c1oc(cc2=O)C(=O)Nc1ccc(cc1)N1CCOCC1)C
InChI InChI=1S/C26H30N4O4/c1-18-3-8-21(30-11-9-28(2)10-12-30)25-24(18)22(31)17-23(34-25)26(32)27-19-4-6-20(7-5-19)29-13-15-33-16-14-29/h3-8,17H,9-16H2,1-2H3,(H,27,32)/i2-1
InChI Key JKPWOPNZKYPRPZ-JVVVGQRLSA-N
Classification
Compound class Synthetic organic
IUPAC Name
5-methyl-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)-4-oxochromene-2-carboxamide
Synonyms
[11C]AZ10419369 (PET ligand)
Database Links
GtoPdb PubChem SID 178100755
PubChem CID 42608431
Search Google for chemical match using the InChIKey JKPWOPNZKYPRPZ-JVVVGQRLSA-N
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