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canSAR1590182
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NAMES
    SMILES
    COc1cc(CN2C[C@H]3N[C@@H](C2)[C@@H]3c2ccc(-c3ccncc3)cc2)cc(OC)c1
    InChI
    InChI=1S/C25H27N3O2/c1-29-21-11-17(12-22(13-21)30-2)14-28-15-23-25(24(16-28)27-23)20-5-3-18(4-6-20)19-7-9-26-10-8-19/h3-13,23-25,27H,14-16H2,1-2H3/t23-,24+,25-
    MOLECULAR FORMULA
    C25H27N3O2
    CROSS REFERENCES
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    canSAR1590182

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 401.21
    AlogP 3.71
    HBond donors 1
    HBond acceptors 5
    Atoms 57
    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 canSAR1590182.