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canSAR1061201
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NAMES
    SMILES
    CCCN(CC[C@H]1CC[C@H](NC(=O)/C=C/c2ccc(OC)cc2)CC1)[C@H]1CCc2nc(N)sc2C1
    InChI
    InChI=1S/C28H40N4O2S/c1-3-17-32(23-11-14-25-26(19-23)35-28(29)31-25)18-16-21-4-9-22(10-5-21)30-27(33)15-8-20-6-12-24(34-2)13-7-20/h6-8,12-13,15,21-23H,3-5,9-11,14,16-19H2,1-2H3,(H2,29,31)(H,30,33)/b15-8+/t21-,22-,23-/m0/s1
    MOLECULAR FORMULA
    C28H40N4O2S
    CROSS REFERENCES
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    canSAR1061201

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 496.29
    AlogP 5.08
    HBond donors 3
    HBond acceptors 6
    Atoms 75
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1061201.