Compound Synopsis
Compound Overview
Bioactivity Data Summary
Protein Affinity Profile
Cellline Sensitivity Profile

962982 - Overview - Compound Synopsis

Synonyms
4SB
Molecular Formula
C17H18BrN3O2
InChI
InChI=1S/C17H18BrN3O2/c18-15-10-12(6-7-16(15)22)11-20-21-17(23)14(8-9-19)13-4-2-1-3-5-13/h1-7,10-11,14,22H,8-9,19H2,(H,21,23)/b20-11+/t14-/m1/s1
Smiles
NCC[C@@H](C(=O)N/N=C/c1ccc(O)c(Br)c1)c1ccccc1
Cross References
UniChem1077855
canSAR962982
PDBe (Protein Data Bank Europe)4SB
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 375.0582389162.73744541Yes


Compounds with the same scaffold


Image of compound ID: 962982
Murko Scaffold Family: 84 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12