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canSAR2020963
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NAMES
    SMILES
    COc1ccc(OC)c(NC(=O)c2sc3ncnc(N4CCN(c5ccccn5)CC4)c3c2C)c1
    InChI
    InChI=1S/C25H26N6O3S/c1-16-21-23(31-12-10-30(11-13-31)20-6-4-5-9-26-20)27-15-28-25(21)35-22(16)24(32)29-18-14-17(33-2)7-8-19(18)34-3/h4-9,14-15H,10-13H2,1-3H3,(H,29,32)
    MOLECULAR FORMULA
    C25H26N6O3S
    CROSS REFERENCES
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    canSAR2020963

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 490.18
    AlogP 3.99
    HBond donors 1
    HBond acceptors 9
    Atoms 61
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2020963.