entinostat

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 281
Total Number of Articles : 247
PubChem 4261
Molecular Formula

C21H20N4O3

SMILES

C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3

InChI

InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26)

synonyms
  • Entinostat
  • 209783-80-2
  • ms-275
Click to show/hide the synonyms
Properties
Property Value
MW 376.4 g/mol
HBD 3
HBA 5
Rotatable Bond Count 7
Exact Mass 376.15354051 g/mol
Monoisotopic Mass 376.15354051 g/mol
Heavy Atom Count 28
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 508
xlogp 2
Topological Polar Surface Area 106