canSAR222690
FEATURES
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NAMES
    SMILES
    Cc1cn([C@@H]2O[C@H](CO)C(CN=[N+]=[N-])[C@H]2Cl)c(=O)[nH]c1=O
    InChI
    InChI=1S/C11H14ClN5O4/c1-5-3-17(11(20)15-9(5)19)10-8(12)6(2-14-16-13)7(4-18)21-10/h3,6-8,10,18H,2,4H2,1H3,(H,15,19,20)/t6?,7-,8-,10-/m1/s1
    MOLECULAR FORMULA
    C11H14ClN5O4
    CROSS REFERENCES
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    canSAR222690
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight315.07
    AlogP0.27
    HBond donors2
    HBond acceptors9
    Atoms35
    Contains toxicophoreYes
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR222690.