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canSAR651738
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NAMES
    SMILES
    O=C(OCc1ccccc1)[C@@H]1CCCN1C(=O)CN(c1ncnc2c1ncn2C1CCCCO1)C1CC1
    InChI
    InChI=1S/C27H32N6O4/c34-22(31-13-6-9-21(31)27(35)37-16-19-7-2-1-3-8-19)15-32(20-11-12-20)25-24-26(29-17-28-25)33(18-30-24)23-10-4-5-14-36-23/h1-3,7-8,17-18,20-21,23H,4-6,9-16H2/t21-,23?/m0/s1
    MOLECULAR FORMULA
    C27H32N6O4
    CROSS REFERENCES
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    canSAR651738

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 504.25
    AlogP 3.23
    HBond donors 0
    HBond acceptors 10
    Atoms 69
    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 canSAR651738.