doramapimod

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 54
Total Number of Articles : 58
PubChem 156422
Molecular Formula

C31H37N5O3

SMILES

CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5

InChI

InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)

synonyms
  • Doramapimod
  • 285983-48-4
  • BIRB-796
Click to show/hide the synonyms
Properties
Property Value
MW 527.7 g/mol
HBD 2
HBA 5
Rotatable Bond Count 8
Exact Mass 527.28964006 g/mol
Monoisotopic Mass 527.28964006 g/mol
Heavy Atom Count 39
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 777
xlogp 5.7
Topological Polar Surface Area 80.6