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canSAR465094
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NAMES
    SMILES
    NC(=O)CN1CCC2(CCN(c3ccc(C(=O)Nc4cc(-c5cccs5)ccc4N)cn3)CC2)C1
    InChI
    InChI=1S/C26H30N6O2S/c27-20-5-3-18(22-2-1-13-35-22)14-21(20)30-25(34)19-4-6-24(29-15-19)32-11-8-26(9-12-32)7-10-31(17-26)16-23(28)33/h1-6,13-15H,7-12,16-17,27H2,(H2,28,33)(H,30,34)
    MOLECULAR FORMULA
    C26H30N6O2S
    CROSS REFERENCES
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    canSAR465094

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 490.22
    AlogP 3.42
    HBond donors 5
    HBond acceptors 8
    Atoms 65
    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 canSAR465094.