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canSAR220746
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NAMES
    SMILES
    COc1ccc(CNc2nc(NCc3ccc(OC)cc3)c3ncn(C4CCC(O)CC4)c3n2)cc1
    InChI
    InChI=1S/C27H32N6O3/c1-35-22-11-3-18(4-12-22)15-28-25-24-26(33(17-30-24)20-7-9-21(34)10-8-20)32-27(31-25)29-16-19-5-13-23(36-2)14-6-19/h3-6,11-14,17,20-21,34H,7-10,15-16H2,1-2H3,(H2,28,29,31,32)
    MOLECULAR FORMULA
    C27H32N6O3
    CROSS REFERENCES
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    canSAR220746

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 488.25
    AlogP 4.54
    HBond donors 3
    HBond acceptors 9
    Atoms 68
    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 canSAR220746.