canSAR386500
FEATURES
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NAMES
    SMILES
    CSc1nc(N)c2cc(C)n([C@H]3C[C@@H](O)[C@@H](CO)O3)c2n1
    InChI
    InChI=1S/C13H18N4O3S/c1-6-3-7-11(14)15-13(21-2)16-12(7)17(6)10-4-8(19)9(5-18)20-10/h3,8-10,18-19H,4-5H2,1-2H3,(H2,14,15,16)/t8-,9-,10-/m1/s1
    MOLECULAR FORMULA
    C13H18N4O3S
    CROSS REFERENCES
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    canSAR386500
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight310.11
    AlogP0.68
    HBond donors4
    HBond acceptors7
    Atoms39
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR386500.