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canSAR651255
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NAMES
    SMILES
    COc1ccc2nc(-c3ccc(Nc4ncnc5cc(OCCCN6CCN(C)CC6)c(OC)cc45)cc3)sc2c1
    InChI
    InChI=1S/C31H34N6O3S/c1-36-12-14-37(15-13-36)11-4-16-40-28-19-26-24(18-27(28)39-3)30(33-20-32-26)34-22-7-5-21(6-8-22)31-35-25-10-9-23(38-2)17-29(25)41-31/h5-10,17-20H,4,11-16H2,1-3H3,(H,32,33,34)
    MOLECULAR FORMULA
    C31H34N6O3S
    CROSS REFERENCES
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    canSAR651255

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 570.24
    AlogP 5.68
    HBond donors 1
    HBond acceptors 9
    Atoms 75
    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 canSAR651255.