diminazene   Click here for help

GtoPdb Ligand ID: 10307

Synonyms: Azidin® | Berenil® | Pirocide®
PDB Ligand Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: Administered as diminazene aceturate (CID 5284544), this is a is a trypanocidal agent that has been used in veterinary practice since 1955.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 5
Rotatable bonds 5
Topological polar surface area 136.49
Molecular weight 281.14
XLogP 2.55
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES NC(=N)c1ccc(cc1)NN=Nc1ccc(cc1)C(=N)N
Isomeric SMILES NC(=N)c1ccc(cc1)NN=Nc1ccc(cc1)C(=N)N
InChI InChI=1S/C14H15N7/c15-13(16)9-1-5-11(6-2-9)19-21-20-12-7-3-10(4-8-12)14(17)18/h1-8H,(H3,15,16)(H3,17,18)(H,19,20)
InChI Key XNYZHCFCZNMTFY-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Synonyms Click here for help
Azidin® | Berenil® | Pirocide®
Database Links Click here for help
BindingDB Ligand 50000999
ChEMBL Ligand CHEMBL35241
DrugBank Ligand DB03608
GtoPdb PubChem SID 381744988
PubChem CID 2354
RCSB PDB Ligand BRN
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