REACTIVE BLUE 2
FEATURES
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NAMES
  • Reactive Blue 2
SMILES
Nc1c(S(=O)(=O)O)cc(Nc2ccc(Nc3nc(Cl)nc(Nc4cccc(S(=O)(=O)O)c4)n3)c(S(=O)(=O)O)c2)c2c1C(=O)c1ccccc1C2=O
InChI
InChI=1S/C29H20ClN7O11S3/c30-27-35-28(33-13-4-3-5-15(10-13)49(40,41)42)37-29(36-27)34-18-9-8-14(11-20(18)50(43,44)45)32-19-12-21(51(46,47)48)24(31)23-22(19)25(38)16-6-1-2-7-17(16)26(23)39/h1-12,32H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37)
MOLECULAR FORMULA
C29H20ClN7O11S3
CROSS REFERENCES
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REACTIVE BLUE 2
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight773.01
AlogP3.85
HBond donors8
HBond acceptors18
Atoms71
Contains toxicophoreNo
Contains PAINSYes
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by REACTIVE BLUE 2.