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canSAR1720262
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NAMES
    SMILES
    COc1ccc2c3c(n(C)c2c1)[C@@H](CO)NCC31CN(Cc2ccc(-c3ccccn3)cc2)C1
    InChI
    InChI=1S/C28H30N4O2/c1-31-25-13-21(34-2)10-11-22(25)26-27(31)24(15-33)30-16-28(26)17-32(18-28)14-19-6-8-20(9-7-19)23-5-3-4-12-29-23/h3-13,24,30,33H,14-18H2,1-2H3/t24-/m1/s1
    MOLECULAR FORMULA
    C28H30N4O2
    CROSS REFERENCES
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    canSAR1720262

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 454.24
    AlogP 3.64
    HBond donors 2
    HBond acceptors 6
    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 canSAR1720262.