[3H]NGD941   Click here for help

GtoPdb Ligand ID: 3297

Synonyms: [3H]-NGD941 | [3H]NGD 94-1
 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 5
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 60.94
Molecular weight 320.17
XLogP 2.04
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES c1ccc(cc1)c1ncc([nH]1)CN1CCN(CC1)c1ncccn1
Isomeric SMILES c1ccc(cc1)c1ncc([nH]1)CN1CCN(CC1)c1ncccn1
InChI InChI=1S/C18H20N6/c1-2-5-15(6-3-1)17-21-13-16(22-17)14-23-9-11-24(12-10-23)18-19-7-4-8-20-18/h1-8,13H,9-12,14H2,(H,21,22)
InChI Key OTVQCHUIPJYASM-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-[4-[(2-phenyl-3H-imidazol-4-yl)methyl]piperazin-1-yl]pyrimidine
Synonyms Click here for help
[3H]-NGD941 | [3H]NGD 94-1
Database Links Click here for help
ChEMBL Ligand CHEMBL103772
GtoPdb PubChem SID 178100334
PubChem CID 188942
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Tocris
NGD 94-1
Cat. No. 3298