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canSAR1498911
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NAMES
    SMILES
    CN(C)CCOc1cc2nc(N3CCN(c4cc(O)c5ccccc5c4O)CC3)nc(N)c2cc1OCCN(C)C
    InChI
    InChI=1S/C30H39N7O4/c1-34(2)13-15-40-26-17-22-23(18-27(26)41-16-14-35(3)4)32-30(33-29(22)31)37-11-9-36(10-12-37)24-19-25(38)20-7-5-6-8-21(20)28(24)39/h5-8,17-19,38-39H,9-16H2,1-4H3,(H2,31,32,33)
    MOLECULAR FORMULA
    C30H39N7O4
    CROSS REFERENCES
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    canSAR1498911

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 561.31
    AlogP 2.98
    HBond donors 4
    HBond acceptors 11
    Atoms 80
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1498911.