prexasertib

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 42
Total Number of Articles : 46
PubChem 46700756
Molecular Formula

C18H19N7O2

SMILES

COC1=C(C(=CC=C1)OCCCN)C2=CC(=NN2)NC3=NC=C(N=C3)C#N

InChI

InChI=1S/C18H19N7O2/c1-26-14-4-2-5-15(27-7-3-6-19)18(14)13-8-16(25-24-13)23-17-11-21-12(9-20)10-22-17/h2,4-5,8,10-11H,3,6-7,19H2,1H3,(H2,22,23,24,25)

synonyms
  • Prexasertib
  • 1234015-52-1
  • LY2606368
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Properties
Property Value
MW 365.4 g/mol
HBD 3
HBA 8
Rotatable Bond Count 8
Exact Mass 365.16002287 g/mol
Monoisotopic Mass 365.16002287 g/mol
Heavy Atom Count 27
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 499
xlogp 1.4
Topological Polar Surface Area 135