[11C]pyrilamine   Click here for help

GtoPdb Ligand ID: 3957

Synonyms: [11C]-mepyramine | [11C]-pyrilamine
 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 3
Hydrogen bond donors 0
Rotatable bonds 7
Topological polar surface area 28.6
Molecular weight 285.18
XLogP 3.19
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1ccc(cc1)CN(c1ccccn1)CCN(C)C
Isomeric SMILES COc1ccc(cc1)CN(c1ccccn1)CCN(C)C
InChI InChI=1S/C17H23N3O/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15/h4-11H,12-14H2,1-3H3
InChI Key YECBIJXISLIIDS-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-[(4-methoxyphenyl)methyl]-N',N'-dimethyl-N-pyridin-2-ylethane-1,2-diamine
Synonyms Click here for help
[11C]-mepyramine | [11C]-pyrilamine
Database Links Click here for help
ChEMBL Ligand CHEMBL511
DrugCentral Ligand 2331
GtoPdb PubChem SID 178100784
PubChem CID 4992
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