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canSAR1129641
FEATURES
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NAMES
    SMILES
    N[C@H]1C[C@@H](N)[C@H](OCc2cccc3ccccc23)[C@@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](OCc2ccc3ccccc3c2)[C@H](OCc2ccc3ccccc3c2)[C@H]1N
    InChI
    InChI=1S/C45H49N3O7/c46-36-22-37(47)42(40(50)41(36)53-26-34-14-7-13-31-10-5-6-15-35(31)34)55-45-39(48)44(52-25-28-17-19-30-9-2-4-12-33(30)21-28)43(38(23-49)54-45)51-24-27-16-18-29-8-1-3-11-32(29)20-27/h1-21,36-45,49-50H,22-26,46-48H2/t36-,37+,38-,39-,40-,41+,42-,43-,44-,45-/m1/s1
    MOLECULAR FORMULA
    C45H49N3O7
    CROSS REFERENCES
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    canSAR1129641

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 743.36
    AlogP 5.05
    HBond donors 8
    HBond acceptors 10
    Atoms 104
    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 canSAR1129641.