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5SR
FEATURES
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NAMES
  • 5SR
SMILES
Cc1ncc(C[n+]2c(C(=O)O)sc(CCOP(=O)(O)OP(=O)([O-])O)c2C)c(N)n1
InChI
InChI=1S/C13H18N4O9P2S/c1-7-10(3-4-25-28(23,24)26-27(20,21)22)29-12(13(18)19)17(7)6-9-5-15-8(2)16-11(9)14/h5H,3-4,6H2,1-2H3,(H5-,14,15,16,18,19,20,21,22,23,24)
MOLECULAR FORMULA
C13H18N4O9P2S
CROSS REFERENCES
  • UniChem: 110846398
  • canSAR: 1425802
  • PDBe (Protein Data Bank Europe): 5SR
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5SR

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 468.03
AlogP -0.09
HBond donors 5
HBond acceptors 13
Atoms 47
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 5SR.