Panobinostat

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 283
Total Number of Articles : 275
PubChem 6918837
Molecular Formula

C21H23N3O2

SMILES

CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO

InChI

InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+

synonyms
  • Panobinostat
  • 404950-80-7
  • LBH589
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Properties
Property Value
MW 349.4 g/mol
HBD 4
HBA 3
Rotatable Bond Count 7
Exact Mass 349.17902698 g/mol
Monoisotopic Mass 349.17902698 g/mol
Heavy Atom Count 26
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 474
xlogp 3
Topological Polar Surface Area 77.2