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canSAR784017
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NAMES
    SMILES
    COC[C@H]1OC(OCc2ccc3ccccc3c2)[C@H](NC(=O)CCN=C(N)N)[C@@H](OCc2ccc3ccccc3c2)[C@@H]1O
    InChI
    InChI=1S/C33H38N4O6/c1-40-20-27-30(39)31(41-18-21-10-12-23-6-2-4-8-25(23)16-21)29(37-28(38)14-15-36-33(34)35)32(43-27)42-19-22-11-13-24-7-3-5-9-26(24)17-22/h2-13,16-17,27,29-32,39H,14-15,18-20H2,1H3,(H,37,38)(H4,34,35,36)/t27-,29-,30-,31-,32?/m1/s1
    MOLECULAR FORMULA
    C33H38N4O6
    CROSS REFERENCES
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    canSAR784017

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 586.28
    AlogP 2.98
    HBond donors 6
    HBond acceptors 10
    Atoms 81
    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 canSAR784017.