enasidenib

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 21
Total Number of Articles : 74
PubChem 89683805
Molecular Formula

C19H17F6N7O

SMILES

CC(C)(CNC1=NC(=NC(=N1)C2=NC(=CC=C2)C(F)(F)F)NC3=CC(=NC=C3)C(F)(F)F)O

InChI

InChI=1S/C19H17F6N7O/c1-17(2,33)9-27-15-30-14(11-4-3-5-12(29-11)18(20,21)22)31-16(32-15)28-10-6-7-26-13(8-10)19(23,24)25/h3-8,33H,9H2,1-2H3,(H2,26,27,28,30,31,32)

synonyms
  • Enasidenib
  • CC-90007 Free Base
  • enasidenibum
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Properties
Property Value
MW 473.4 g/mol
HBD 3
HBA 14
Rotatable Bond Count 6
Exact Mass 473.13987716 g/mol
Monoisotopic Mass 473.13987716 g/mol
Heavy Atom Count 33
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 635
xlogp 3.5
Topological Polar Surface Area 109