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canSAR98656
FEATURES
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NAMES
    SMILES
    CC1CCN(C(=O)[C@H](CCCNc2ncccn2)NS(=O)(=O)c2ccc3ccccc3c2)CC1
    InChI
    InChI=1S/C25H31N5O3S/c1-19-11-16-30(17-12-19)24(31)23(8-4-13-26-25-27-14-5-15-28-25)29-34(32,33)22-10-9-20-6-2-3-7-21(20)18-22/h2-3,5-7,9-10,14-15,18-19,23,29H,4,8,11-13,16-17H2,1H3,(H,26,27,28)/t23-/m0/s1
    MOLECULAR FORMULA
    C25H31N5O3S
    CROSS REFERENCES
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    canSAR98656

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 481.21
    AlogP 3.43
    HBond donors 2
    HBond acceptors 8
    Atoms 65
    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 canSAR98656.