Predicentrine Methiodide
FEATURES
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NAMES
  • Predicentrine Methiodide
SMILES
COc1cc2c(cc1OC)-c1c(OC)c(O)cc3c1[C@H](C2)[N+](C)(C)CC3.[I-]
InChI
InChI=1S/C21H25NO4.HI/c1-22(2)7-6-12-9-16(23)21(26-5)20-14-11-18(25-4)17(24-3)10-13(14)8-15(22)19(12)20;/h9-11,15H,6-8H2,1-5H3;1H/t15-;/m0./s1
MOLECULAR FORMULA
C21H26INO4
CROSS REFERENCES
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Predicentrine Methiodide
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight483.09
AlogP0.32
HBond donors1
HBond acceptors5
Atoms53
Contains toxicophoreNo
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by Predicentrine Methiodide.