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canSAR1126949
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NAMES
    SMILES
    O=C(Nc1cccc(-c2cn3c(CN4CCNCC4)csc3n2)c1)c1cc2ccccc2[nH]1
    InChI
    InChI=1S/C25H24N6OS/c32-24(22-13-18-4-1-2-7-21(18)28-22)27-19-6-3-5-17(12-19)23-15-31-20(16-33-25(31)29-23)14-30-10-8-26-9-11-30/h1-7,12-13,15-16,26,28H,8-11,14H2,(H,27,32)
    MOLECULAR FORMULA
    C25H24N6OS
    CROSS REFERENCES
    1126949 logo

    canSAR1126949

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 456.17
    AlogP 4.20
    HBond donors 3
    HBond acceptors 7
    Atoms 57
    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 canSAR1126949.