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canSAR1714802
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NAMES
    SMILES
    C[S+]([O-])c1cnc(Nc2ccc(CC[C@H]3COC(N)=N3)cc2)nc1
    InChI
    InChI=1S/C16H19N5O2S/c1-24(22)14-8-18-16(19-9-14)21-12-5-2-11(3-6-12)4-7-13-10-23-15(17)20-13/h2-3,5-6,8-9,13H,4,7,10H2,1H3,(H2,17,20)(H,18,19,21)/t13-,24?/m0/s1
    MOLECULAR FORMULA
    C16H19N5O2S
    CROSS REFERENCES
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    canSAR1714802

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 345.13
    AlogP 1.60
    HBond donors 3
    HBond acceptors 7
    Atoms 43
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1714802.