dimaprit   

GtoPdb Ligand ID: 1248

Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 78.41
Molecular weight 161.1
XLogP 0.58
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CN(CCCSC(=N)N)C
Isomeric SMILES CN(CCCSC(=N)N)C
InChI InChI=1S/C6H15N3S/c1-9(2)4-3-5-10-6(7)8/h3-5H2,1-2H3,(H3,7,8)
InChI Key OLHQOJYVQUNWPL-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
3-dimethylaminopropylsulfanylmethanimidamide
Database Links
BindingDB Ligand 22883
ChEMBL Ligand CHEMBL12344
GtoPdb PubChem SID 135650186
PubChem CID 3077
Search Google for chemical match using the InChIKey OLHQOJYVQUNWPL-UHFFFAOYSA-N
Search Google for chemicals with the same backbone OLHQOJYVQUNWPL
Search UniChem for chemical match using the InChIKey OLHQOJYVQUNWPL-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone OLHQOJYVQUNWPL
Wikipedia Dimaprit