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O2T
FEATURES
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NAMES
  • O2T
SMILES
Cc1ncc(C[n+]2c(C(O)(O)C(=O)O)sc(CCOP(=O)(O)OP(=O)([O-])O)c2C)c(N)n1
InChI
InChI=1S/C14H20N4O11P2S/c1-7-10(3-4-28-31(26,27)29-30(23,24)25)32-12(14(21,22)13(19)20)18(7)6-9-5-16-8(2)17-11(9)15/h5,21-22H,3-4,6H2,1-2H3,(H5-,15,16,17,19,20,23,24,25,26,27)
MOLECULAR FORMULA
C14H20N4O11P2S
CROSS REFERENCES
  • UniChem: 110846407
  • canSAR: 1609674
  • PDBe (Protein Data Bank Europe): O2T
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O2T

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 514.03
AlogP -1.57
HBond donors 7
HBond acceptors 15
Atoms 52
Contains toxicophore Yes
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by O2T.