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

752738 - Overview - Compound Synopsis

Synonyms
BNI
Molecular Formula
C16H20N4O4S
InChI
InChI=1S/C16H20N4O4S/c21-14(17-10-5-7-11(8-6-10)20(23)24)4-2-1-3-13-15-12(9-25-13)18-16(22)19-15/h5-8,12-13,15H,1-4,9H2,(H,17,21)(H2,18,19,22)/t12-,13-,15-/m0/s1
Smiles
O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)Nc1ccc([N+](=O)[O-])cc1
Cross References
UniChem647010
canSAR752738
PDBe (Protein Data Bank Europe)BNI
ChEMBLCHEMBL1231412
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 364.120526122.25913845No


Compounds with the same scaffold


Image of compound ID: 752738
Murko Scaffold Family: 663 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12