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canSAR345297
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NAMES
    SMILES
    CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c(CO)c(CO)c4c5ccccc5n2c4c31
    InChI
    InChI=1S/C28H29N3O4/c1-28-27(34-3)19(29-2)12-22(35-28)30-20-10-6-4-8-15(20)23-17(13-32)18(14-33)24-16-9-5-7-11-21(16)31(28)26(24)25(23)30/h4-11,19,22,27,29,32-33H,12-14H2,1-3H3/t19-,22?,27-,28+/m1/s1
    MOLECULAR FORMULA
    C28H29N3O4
    CROSS REFERENCES
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    canSAR345297

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 471.22
    AlogP 4.10
    HBond donors 3
    HBond acceptors 7
    Atoms 64
    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 canSAR345297.