LY-209961
FEATURES
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NAMES
  • LY-209961
SMILES
Nc1nc(/C(=N\OCCF)C(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(Sc4nc5cncnc5s4)CC[C@H]23)cs1.[Na+]
InChI
InChI=1S/C20H17FN8O5S3.Na/c21-3-4-34-28-12(9-6-35-19(22)25-9)15(30)27-13-10-1-2-11(14(18(32)33)29(10)17(13)31)36-20-26-8-5-23-7-24-16(8)37-20;/h5-7,10,13H,1-4H2,(H2,22,25)(H,27,30)(H,32,33);/q;+1/p-1/b28-12+;/t10-,13+;/m1./s1
MOLECULAR FORMULA
C20H16FN8NaO5S3
CROSS REFERENCES
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LY-209961
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight586.03
AlogP-2.94
HBond donors3
HBond acceptors13
Atoms54
Contains toxicophoreNo
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by LY-209961.