4N1
FEATURES
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NAMES
  • 4N1
SMILES
COc1ccc2nc(-[n+]3cc(C)c(OC)c(C)c3CS)[nH]c2n1
InChI
InChI=1S/C16H18N4O2S/c1-9-7-20(12(8-23)10(2)14(9)22-4)16-17-11-5-6-13(21-3)18-15(11)19-16/h5-7H,8H2,1-4H3,(H-,17,18,19,23)/p+1
MOLECULAR FORMULA
C16H19N4O2S+
CROSS REFERENCES
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4N1
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight331.12
AlogP2.30
HBond donors1
HBond acceptors6
Atoms42
Contains toxicophoreYes
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by 4N1.