BD-1047   

GtoPdb Ligand ID: 6680

Synonyms: BD 1047 | BD1047
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 6
Topological polar surface area 6.48
Molecular weight 274.1
XLogP 3.03
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CN(CCc1ccc(c(c1)Cl)Cl)CCN(C)C
Isomeric SMILES CN(CCc1ccc(c(c1)Cl)Cl)CCN(C)C
InChI InChI=1S/C13H20Cl2N2/c1-16(2)8-9-17(3)7-6-11-4-5-12(14)13(15)10-11/h4-5,10H,6-9H2,1-3H3
InChI Key MGVRNMUKTZOQOW-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
N-[2-(3,4-dichlorophenyl)ethyl]-N,N',N'-trimethylethane-1,2-diamine
Synonyms
BD 1047 | BD1047
Database Links
CAS Registry No. 138356-20-4 (source: Scifinder)
ChEMBL Ligand CHEMBL143360
GtoPdb PubChem SID 178103292
PubChem CID 188914
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Search UniChem for chemical match using the InChIKey MGVRNMUKTZOQOW-UHFFFAOYSA-N
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Wikipedia BD-1047