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canSAR657983
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NAMES
    SMILES
    CC(C)n1nnc2c(N3CCOCC3)nc(-c3ccc(NC(=O)Nc4ccc(N5CCOCC5)cc4)cc3)nc21
    InChI
    InChI=1S/C28H33N9O3/c1-19(2)37-27-24(33-34-37)26(36-13-17-40-18-14-36)31-25(32-27)20-3-5-21(6-4-20)29-28(38)30-22-7-9-23(10-8-22)35-11-15-39-16-12-35/h3-10,19H,11-18H2,1-2H3,(H2,29,30,38)
    MOLECULAR FORMULA
    C28H33N9O3
    CROSS REFERENCES
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    canSAR657983

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 543.27
    AlogP 3.79
    HBond donors 2
    HBond acceptors 12
    Atoms 73
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR657983.