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canSAR1127693
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NAMES
    SMILES
    Nc1ncc(-c2cnn([C@H]3CC[C@H](O)CC3)c2)c2cc(-c3cccc4nnsc34)oc12
    InChI
    InChI=1S/C22H20N6O2S/c23-22-20-16(8-19(30-20)15-2-1-3-18-21(15)31-27-26-18)17(10-24-22)12-9-25-28(11-12)13-4-6-14(29)7-5-13/h1-3,8-11,13-14,29H,4-7H2,(H2,23,24)/t13-,14-
    MOLECULAR FORMULA
    C22H20N6O2S
    CROSS REFERENCES
    1127693 logo

    canSAR1127693

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 432.14
    AlogP 4.42
    HBond donors 3
    HBond acceptors 8
    Atoms 51
    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 canSAR1127693.