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canSAR673847
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NAMES
    SMILES
    CC/N=C(/NCCCN(C)C)N(CC)Cc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O
    InChI
    InChI=1S/C25H40N8O/c1-7-27-24(28-14-11-15-31(5)6)32(8-2)16-20-30-21-22(33(20)17-25(3,4)34)18-12-9-10-13-19(18)29-23(21)26/h9-10,12-13,34H,7-8,11,14-17H2,1-6H3,(H2,26,29)(H,27,28)
    MOLECULAR FORMULA
    C25H40N8O
    CROSS REFERENCES
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    canSAR673847

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 468.33
    AlogP 2.68
    HBond donors 4
    HBond acceptors 9
    Atoms 74
    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 canSAR673847.