roniciclib

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 10
Total Number of Articles : 8
PubChem 75114219
Molecular Formula

C18H21F3N4O3S

SMILES

CC(C(C)OC1=NC(=NC=C1C(F)(F)F)NC2=CC=C(C=C2)S(=N)(=O)C3CC3)O

InChI

InChI=1S/C18H21F3N4O3S/c1-10(26)11(2)28-16-15(18(19,20)21)9-23-17(25-16)24-12-3-5-13(6-4-12)29(22,27)14-7-8-14/h3-6,9-11,14,22,26H,7-8H2,1-2H3,(H,23,24,25)

synonyms
  • roniciclib
  • 1223498-69-8
  • SCHEMBL875254
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Properties
Property Value
MW 430.4 g/mol
HBD 3
HBA 10
Rotatable Bond Count 7
Exact Mass 430.12864620 g/mol
Monoisotopic Mass 430.12864620 g/mol
Heavy Atom Count 29
Isotope Atom Count 0
Atom Stereo Count 3
Covalent Unit Count 1
Complexity 661
xlogp 4.5
Topological Polar Surface Area 117