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canSAR780088
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NAMES
    SMILES
    O=C1CSC(c2ccccc2)N1n1c(CSc2nnc(-c3ccncc3)o2)nc2ccccc2c1=O
    InChI
    InChI=1S/C25H18N6O3S2/c32-21-15-35-24(17-6-2-1-3-7-17)31(21)30-20(27-19-9-5-4-8-18(19)23(30)33)14-36-25-29-28-22(34-25)16-10-12-26-13-11-16/h1-13,24H,14-15H2
    MOLECULAR FORMULA
    C25H18N6O3S2
    CROSS REFERENCES
    780088 logo

    canSAR780088

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 514.09
    AlogP 4.04
    HBond donors 0
    HBond acceptors 9
    Atoms 54
    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 canSAR780088.