lestaurtinib

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 55
Total Number of Articles : 74
PubChem 126565
Molecular Formula

C26H21N3O4

SMILES

C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O

InChI

InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1

synonyms
  • Lestaurtinib
  • 111358-88-4
  • CEP-701
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Properties
Property Value
MW 439.5 g/mol
HBD 3
HBA 4
Rotatable Bond Count 1
Exact Mass 439.15320616 g/mol
Monoisotopic Mass 439.15320616 g/mol
Heavy Atom Count 33
Isotope Atom Count 0
Atom Stereo Count 3
Covalent Unit Count 1
Complexity 886
xlogp 2.2
Topological Polar Surface Area 88.7