canSAR184695
FEATURES
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NAMES
    SMILES
    CSC[S+]([O-])CC(CO)NC(=O)/C=C/c1c(C)nc(O)nc1O.CSC[S+]([O-])CC(CO)NC(=O)/C=C\c1cnc(O)nc1O
    InChI
    InChI=1S/C13H19N3O5S2.C12H17N3O5S2/c1-8-10(12(19)16-13(20)14-8)3-4-11(18)15-9(5-17)6-23(21)7-22-2;1-21-7-22(20)6-9(5-16)14-10(17)3-2-8-4-13-12(19)15-11(8)18/h3-4,9,17H,5-7H2,1-2H3,(H,15,18)(H2,14,16,19,20);2-4,9,16H,5-7H2,1H3,(H,14,17)(H2,13,15,18,19)/b4-3+;3-2-
    MOLECULAR FORMULA
    C25H36N6O10S4
    CROSS REFERENCES
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    canSAR184695
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight708.14
    AlogP-0.80
    HBond donors8
    HBond acceptors16
    Atoms81
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR184695.