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canSAR840401
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NAMES
    SMILES
    Cc1ccc2c(N3CCN(CCc4c(C)ccc5c4ccc(=O)n5C)[C@H](C)C3)cccc2n1
    InChI
    InChI=1S/C28H32N4O/c1-19-8-12-26-23(11-13-28(33)30(26)4)22(19)14-15-31-16-17-32(18-21(31)3)27-7-5-6-25-24(27)10-9-20(2)29-25/h5-13,21H,14-18H2,1-4H3/t21-/m1/s1
    MOLECULAR FORMULA
    C28H32N4O
    CROSS REFERENCES
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    canSAR840401

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 440.26
    AlogP 4.46
    HBond donors 0
    HBond acceptors 5
    Atoms 65
    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 canSAR840401.