BRU
FEATURES
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NAMES
  • BRU
  • UBR
SMILES
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)cc1Br
InChI
InChI=1S/C9H12BrN2O8P/c10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(20-7)3-19-21(16,17)18/h2,5-7,13H,1,3H2,(H,11,14,15)(H2,16,17,18)/t5-,6+,7+/m0/s1
MOLECULAR FORMULA
C9H12BrN2O8P
CROSS REFERENCES
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BRU
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight385.95
AlogP-0.94
HBond donors4
HBond acceptors10
Atoms33
Contains toxicophoreYes
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by BRU.