ulixertinib

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 14
Total Number of Articles : 18
PubChem 11719003
Molecular Formula

C21H22Cl2N4O2

SMILES

CC(C)NC1=NC=C(C(=C1)C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)Cl

InChI

InChI=1S/C21H22Cl2N4O2/c1-12(2)26-20-8-16(17(23)10-25-20)14-7-18(24-9-14)21(29)27-19(11-28)13-4-3-5-15(22)6-13/h3-10,12,19,24,28H,11H2,1-2H3,(H,25,26)(H,27,29)/t19-/m1/s1

synonyms
  • Ulixertinib
  • 869886-67-9
  • VRT752271
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Properties
Property Value
MW 433.3 g/mol
HBD 4
HBA 4
Rotatable Bond Count 7
Exact Mass 432.1119813 g/mol
Monoisotopic Mass 432.1119813 g/mol
Heavy Atom Count 29
Isotope Atom Count 0
Atom Stereo Count 1
Covalent Unit Count 1
Complexity 539
xlogp 4.1
Topological Polar Surface Area 90