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2U3
FEATURES
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NAMES
  • 2U3
SMILES
CC(C)(NOS(=O)(=O)O)[C@@H](CO)NC(=O)/C(=N\OCc1cc(=O)c(O)cn1O)c1csc(N)n1
InChI
InChI=1S/C16H22N6O10S2/c1-16(2,21-32-34(28,29)30)12(5-23)19-14(26)13(9-7-33-15(17)18-9)20-31-6-8-3-10(24)11(25)4-22(8)27/h3-4,7,12,21,23,25,27H,5-6H2,1-2H3,(H2,17,18)(H,19,26)(H,28,29,30)/b20-13-/t12-/m1/s1
MOLECULAR FORMULA
C16H22N6O10S2
CROSS REFERENCES
  • UniChem: 76240121
  • canSAR: 1148802
  • PDBe (Protein Data Bank Europe): 2U3
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2U3

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 522.08
AlogP -1.67
HBond donors 8
HBond acceptors 16
Atoms 56
Contains toxicophore No
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by 2U3.