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

749701 - Overview - Compound Synopsis

Synonyms
H1N
Molecular Formula
C29H32N4O3S
InChI
InChI=1S/C29H32N4O3S/c1-2-37(35,36)32-24-15-16-26-25(19-24)27(29(34)31-26)28(22-9-5-3-6-10-22)30-23-13-11-21(12-14-23)20-33-17-7-4-8-18-33/h3,5-6,9-16,19,27,32H,2,4,7-8,17-18,20H2,1H3,(H,31,34)/b30-28+/t27-/m0/s1
Smiles
CCS(=O)(=O)Nc1ccc2c(c1)[C@@H](/C(=N/c1ccc(CN3CCCCC3)cc1)c1ccccc1)C(=O)N2
Cross References
UniChem1022660
canSAR749701
ChEMBLCHEMBL1233204
PDBe (Protein Data Bank Europe)H1N
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 516.2195118845.29082769No


Compounds with the same scaffold


Image of compound ID: 749701
Murko Scaffold Family: 1 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12