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canSAR788945
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NAMES
    SMILES
    O=C(Cc1ccccc1)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5
    InChI
    InChI=1S/C28H32N2O4/c31-21-9-8-19-15-22-28(33)11-10-20(29-23(32)14-17-4-2-1-3-5-17)26-27(28,24(19)25(21)34-26)12-13-30(22)16-18-6-7-18/h1-5,8-9,18,20,22,26,31,33H,6-7,10-16H2,(H,29,32)/t20-,22-,26+,27+,28-/m1/s1
    MOLECULAR FORMULA
    C28H32N2O4
    CROSS REFERENCES
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    canSAR788945

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 460.24
    AlogP 2.68
    HBond donors 3
    HBond acceptors 6
    Atoms 66
    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 canSAR788945.