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canSAR659243
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NAMES
    SMILES
    COc1cc2c(N(C)c3ccc(-c4nc5ccccc5s4)c(OC)c3)ncnc2cc1OCCCN1CCN(C)CC1
    InChI
    InChI=1S/C32H36N6O3S/c1-36-13-15-38(16-14-36)12-7-17-41-29-20-26-24(19-28(29)40-4)31(34-21-33-26)37(2)22-10-11-23(27(18-22)39-3)32-35-25-8-5-6-9-30(25)42-32/h5-6,8-11,18-21H,7,12-17H2,1-4H3
    MOLECULAR FORMULA
    C32H36N6O3S
    CROSS REFERENCES
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    canSAR659243

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 584.26
    AlogP 5.71
    HBond donors 0
    HBond acceptors 9
    Atoms 78
    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 canSAR659243.