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canSAR1060969
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NAMES
    SMILES
    COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccccc4)CC3)[C@@H]1CN2
    InChI
    InChI=1S/C27H34N4O3/c1-19(20-7-5-4-6-8-20)9-10-30-11-13-31(14-12-30)18-26-22-17-28-23-16-25(33-3)24(32-2)15-21(23)27(22)29-34-26/h4-9,15-16,22,26,28H,10-14,17-18H2,1-3H3/b19-9+/t22-,26-/m0/s1
    MOLECULAR FORMULA
    C27H34N4O3
    CROSS REFERENCES
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    canSAR1060969

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 462.26
    AlogP 3.57
    HBond donors 1
    HBond acceptors 7
    Atoms 68
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1060969.