dimaprit   Click here for help

GtoPdb Ligand ID: 1248

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 2
Rotatable bonds 5
Topological polar surface area 78.41
Molecular weight 161.1
XLogP 0.58
No. Lipinski's rules broken 0

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)

SMILES / InChI / InChIKey
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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

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)

Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-dimethylaminopropylsulfanylmethanimidamide
Database Links Click here for help
Specialist databases
GPCRdb Ligand dimaprit
Other databases
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
UniChem Compound Search for chemical match using the InChIKey OLHQOJYVQUNWPL-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey OLHQOJYVQUNWPL-UHFFFAOYSA-N
Wikipedia Dimaprit