Roscovitine

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 444
Total Number of Articles : 665
PubChem 160355
Molecular Formula

C19H26N6O

SMILES

CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3

InChI

InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1

synonyms
  • roscovitine
  • Seliciclib
  • 186692-46-6
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Properties
Property Value
MW 354.4 g/mol
HBD 3
HBA 6
Rotatable Bond Count 8
Exact Mass 354.21680947 g/mol
Monoisotopic Mass 354.21680947 g/mol
Heavy Atom Count 26
Isotope Atom Count 0
Atom Stereo Count 1
Covalent Unit Count 1
Complexity 417
xlogp 3.2
Topological Polar Surface Area 87.9